(2R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide

C17H27N5O2 — CID 95765376

IUPAC(2R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
SMILESC[C@@H](Cn1ccnc1)NC(=O)N1CCCC[C@@H]1CN1CCCC1=O
InChIInChI=1S/C17H27N5O2/c1-14(11-20-10-7-18-13-20)19-17(24)22-9-3-2-5-15(22)12-21-8-4-6-16(21)23/h7,10,13-15H,2-6,8-9,11-12H2,1H3,(H,19,24)/t14-,15+/m0/s1
InChIKeyVMIXTWYZLNWECF-LSDHHAIUSA-N
MW333.44 g/mol
LogP1.46
Rot. Bonds5

About (2R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide

(2R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 95765376) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID95765376
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(2R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
SMILESC[C@@H](Cn1ccnc1)NC(=O)N1CCCC[C@@H]1CN1CCCC1=O
InChIInChI=1S/C17H27N5O2/c1-14(11-20-10-7-18-13-20)19-17(24)22-9-3-2-5-15(22)12-21-8-4-6-16(21)23/h7,10,13-15H,2-6,8-9,11-12H2,1H3,(H,19,24)/t14-,15+/m0/s1
InChIKeyVMIXTWYZLNWECF-LSDHHAIUSA-N
XLogP1.46
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide
CID 51079775
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-1-carboxamide
CID 81256957
(3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 95904931
(3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 95904933
2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61480558
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60847096
N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide
CID 94122810
1-[[(2S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]methyl]pyrrolidin-2-one
CID 129432850
(2S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 124609789
(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 124570295
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94122779
(3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 95134502

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide (CID 95765376) is (2R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide is C[C@@H](Cn1ccnc1)NC(=O)N1CCCC[C@@H]1CN1CCCC1=O.
What is the InChIKey of (2R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is VMIXTWYZLNWECF-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-14(11-20-10-7-18-13-20)19-17(24)22-9-3-2-5-15(22)12-21-8-4-6-16(21)23/h7,10,13-15H,2-6,8-9,11-12H2,1H3,(H,19,24)/t14-,15+/m0/s1.
What are the key properties of (2R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide?
(2R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 95765376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).