N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide

C19H28N4O3 — CID 126453906

IUPACN-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide
SMILESO=C(NCCN1CCCC[C@H]1CO)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C19H28N4O3/c24-15-17-8-4-5-10-21(17)11-9-20-19(26)22-12-13-23(18(25)14-22)16-6-2-1-3-7-16/h1-3,6-7,17,24H,4-5,8-15H2,(H,20,26)/t17-/m0/s1
InChIKeyMNYLVAZPWZWLRR-KRWDZBQOSA-N
MW360.46 g/mol
LogP0.89
Rot. Bonds5

About N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide

N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide (PubChem CID 126453906) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide
PubChem CID126453906
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide
SMILESO=C(NCCN1CCCC[C@H]1CO)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C19H28N4O3/c24-15-17-8-4-5-10-21(17)11-9-20-19(26)22-12-13-23(18(25)14-22)16-6-2-1-3-7-16/h1-3,6-7,17,24H,4-5,8-15H2,(H,20,26)/t17-/m0/s1
InChIKeyMNYLVAZPWZWLRR-KRWDZBQOSA-N
XLogP0.89
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 97443663
4-(2-fluorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]piperazine-1-carboxamide
CID 126449328
2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
CID 124749478
8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide
CID 74250935
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-N'-(2-propan-2-ylphenyl)butanediamide
CID 46995136
3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]propanoic acid
CID 131943947
2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide
CID 74249805
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea
CID 97454834
3-oxo-4-phenyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperazine-1-carboxamide
CID 66686657
1-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-phenylurea
CID 97016233
1-(3-chloro-2-fluorophenyl)-3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 118774897

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide (CID 126453906) is N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide is O=C(NCCN1CCCC[C@H]1CO)N1CCN(c2ccccc2)C(=O)C1.
What is the InChIKey of N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide?
The InChIKey is MNYLVAZPWZWLRR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N4O3/c24-15-17-8-4-5-10-21(17)11-9-20-19(26)22-12-13-23(18(25)14-22)16-6-2-1-3-7-16/h1-3,6-7,17,24H,4-5,8-15H2,(H,20,26)/t17-/m0/s1.
What are the key properties of N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide?
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 126453906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).