N-[(3R)-1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide

C21H38N4O3 — CID 97262008

IUPACN-[(3R)-1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)CN2CCC(CCCN3CCOCC3)CC2)C1
InChIInChI=1S/C21H38N4O3/c1-18(26)22-20-5-3-9-25(16-20)21(27)17-24-10-6-19(7-11-24)4-2-8-23-12-14-28-15-13-23/h19-20H,2-17H2,1H3,(H,22,26)/t20-/m1/s1
InChIKeyQMKZUVCMAOWFNE-HXUWFJFHSA-N
MW394.56 g/mol
LogP0.94
Rot. Bonds7

About N-[(3R)-1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide

N-[(3R)-1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide (PubChem CID 97262008) has the molecular formula C21H38N4O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[(3R)-1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide
PubChem CID97262008
Molecular FormulaC21H38N4O3
Molecular Weight394.56 g/mol
Exact Mass394.29
IUPAC NameN-[(3R)-1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)CN2CCC(CCCN3CCOCC3)CC2)C1
InChIInChI=1S/C21H38N4O3/c1-18(26)22-20-5-3-9-25(16-20)21(27)17-24-10-6-19(7-11-24)4-2-8-23-12-14-28-15-13-23/h19-20H,2-17H2,1H3,(H,22,26)/t20-/m1/s1
InChIKeyQMKZUVCMAOWFNE-HXUWFJFHSA-N
XLogP0.94
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-3-yl]acetamide;hydrochloride
CID 119908203
N-[(3S)-1-(2-morpholin-4-yl-2-oxoethyl)piperidin-3-yl]acetamide
CID 97312328
N-[(3S)-1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetyl]piperidin-3-yl]acetamide
CID 124831920
N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide
CID 60948683
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]acetamide
CID 60947690
N-[(3R)-1-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 97098448
2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 131914309
1-[3-(methylamino)piperidin-1-yl]-3-(oxan-4-yl)propan-1-one
CID 119493887
4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one
CID 86915832
N-[(3R)-1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 124739797
N-[(3R)-1-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 100891285
1-(4-acetylpiperazin-1-yl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 60503697

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide (CID 97262008) is N-[(3R)-1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC(CCCN3CCOCC3)CC2)C1.
What is the InChIKey of N-[(3R)-1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide?
The InChIKey is QMKZUVCMAOWFNE-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H38N4O3/c1-18(26)22-20-5-3-9-25(16-20)21(27)17-24-10-6-19(7-11-24)4-2-8-23-12-14-28-15-13-23/h19-20H,2-17H2,1H3,(H,22,26)/t20-/m1/s1.
What are the key properties of N-[(3R)-1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide?
N-[(3R)-1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide has a molecular weight of 394.56 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 97262008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).