N-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide

C23H35ClN4O4 — CID 54642216

IUPACN-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)NCC[C@@H]1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2)[C@H](CO)O1
InChIInChI=1S/C23H35ClN4O4/c24-17-4-6-18(7-5-17)26-23(31)27-20-9-8-19(32-21(20)16-29)10-12-25-22(30)11-15-28-13-2-1-3-14-28/h4-7,19-21,29H,1-3,8-16H2,(H,25,30)(H2,26,27,31)/t19-,20+,21-/m0/s1
InChIKeyKTWPDWKUELHYMU-HBMCJLEFSA-N
MW467.01 g/mol
LogP2.75
Rot. Bonds9

About N-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide

N-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide (PubChem CID 54642216) has the molecular formula C23H35ClN4O4 and a molecular weight of 467.01 g/mol. Its IUPAC name is N-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide
PubChem CID54642216
Molecular FormulaC23H35ClN4O4
Molecular Weight467.01 g/mol
Exact Mass466.23
IUPAC NameN-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)NCC[C@@H]1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2)[C@H](CO)O1
InChIInChI=1S/C23H35ClN4O4/c24-17-4-6-18(7-5-17)26-23(31)27-20-9-8-19(32-21(20)16-29)10-12-25-22(30)11-15-28-13-2-1-3-14-28/h4-7,19-21,29H,1-3,8-16H2,(H,25,30)(H2,26,27,31)/t19-,20+,21-/m0/s1
InChIKeyKTWPDWKUELHYMU-HBMCJLEFSA-N
XLogP2.75
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.01
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2R,5S,6S)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide
CID 54643188
N-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide
CID 54645178
N-[(2S,3R,6S)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide
CID 54644789
N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-pyridin-3-ylacetyl)amino]oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide
CID 54639295
N-[2-[(2R,5S,6S)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide
CID 54638528
N-[2-[(2R,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-fluorobenzamide
CID 54642319
N-[2-[(2R,5S,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-fluorobenzamide
CID 54642077
2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]oxan-2-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 54640752
N-[(2R,3R,6S)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-(dimethylamino)acetamide
CID 54642832
N-[2-[(2S,5S,6S)-5-[(4-fluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide
CID 54643355
N-[2-[(2S,5S,6R)-5-[(4-fluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide
CID 54643354
N-[2-[(2S,5R,6R)-5-[(3-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide
CID 54643984

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide (CID 54642216) is N-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)NCC[C@@H]1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2)[C@H](CO)O1.
What is the InChIKey of N-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide?
The InChIKey is KTWPDWKUELHYMU-HBMCJLEFSA-N. The full InChI is InChI=1S/C23H35ClN4O4/c24-17-4-6-18(7-5-17)26-23(31)27-20-9-8-19(32-21(20)16-29)10-12-25-22(30)11-15-28-13-2-1-3-14-28/h4-7,19-21,29H,1-3,8-16H2,(H,25,30)(H2,26,27,31)/t19-,20+,21-/m0/s1.
What are the key properties of N-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide?
N-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide has a molecular weight of 467.01 g/mol, XLogP of 2.75, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 54642216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).