(3R)-1-(3-amino-3-oxopropyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide

C21H29N5O2 — CID 92612222

IUPAC(3R)-1-(3-amino-3-oxopropyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide
SMILESCc1ccc(-c2cnc(NC(=O)[C@@H]3CCCN(CCC(N)=O)C3)n2C)cc1C
InChIInChI=1S/C21H29N5O2/c1-14-6-7-16(11-15(14)2)18-12-23-21(25(18)3)24-20(28)17-5-4-9-26(13-17)10-8-19(22)27/h6-7,11-12,17H,4-5,8-10,13H2,1-3H3,(H2,22,27)(H,23,24,28)/t17-/m1/s1
InChIKeyDLWUWCMSUKFZLU-QGZVFWFLSA-N
MW383.50 g/mol
LogP2.23
Rot. Bonds6

About (3R)-1-(3-amino-3-oxopropyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide

(3R)-1-(3-amino-3-oxopropyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide (PubChem CID 92612222) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is (3R)-1-(3-amino-3-oxopropyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-amino-3-oxopropyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide
PubChem CID92612222
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name(3R)-1-(3-amino-3-oxopropyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide
SMILESCc1ccc(-c2cnc(NC(=O)[C@@H]3CCCN(CCC(N)=O)C3)n2C)cc1C
InChIInChI=1S/C21H29N5O2/c1-14-6-7-16(11-15(14)2)18-12-23-21(25(18)3)24-20(28)17-5-4-9-26(13-17)10-8-19(22)27/h6-7,11-12,17H,4-5,8-10,13H2,1-3H3,(H2,22,27)(H,23,24,28)/t17-/m1/s1
InChIKeyDLWUWCMSUKFZLU-QGZVFWFLSA-N
XLogP2.23
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(2-amino-2-oxoethyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide
CID 92614379
1-(3-amino-3-oxopropyl)-N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 46971683
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
5-(3,4-dimethylphenyl)-N-[(4-ethylphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
CID 163326874
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919136
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490450
1-[(3,4-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770442
N-(2-aminoethyl)-1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidine-3-carboxamide
CID 119916883
(3S)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 95055554
1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 56525502
N-(3,4-dimethylphenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 53107376
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 43932809

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-amino-3-oxopropyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-amino-3-oxopropyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide (CID 92612222) is (3R)-1-(3-amino-3-oxopropyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-amino-3-oxopropyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-amino-3-oxopropyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide is Cc1ccc(-c2cnc(NC(=O)[C@@H]3CCCN(CCC(N)=O)C3)n2C)cc1C.
What is the InChIKey of (3R)-1-(3-amino-3-oxopropyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide?
The InChIKey is DLWUWCMSUKFZLU-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-14-6-7-16(11-15(14)2)18-12-23-21(25(18)3)24-20(28)17-5-4-9-26(13-17)10-8-19(22)27/h6-7,11-12,17H,4-5,8-10,13H2,1-3H3,(H2,22,27)(H,23,24,28)/t17-/m1/s1.
What are the key properties of (3R)-1-(3-amino-3-oxopropyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide?
(3R)-1-(3-amino-3-oxopropyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-amino-3-oxopropyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 92612222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).