1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide

C17H27N5O2 — CID 46989541

IUPAC1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide
SMILESCc1nccn1CC1(CNC(=O)C2CCCN(CC(N)=O)C2)CC1
InChIInChI=1S/C17H27N5O2/c1-13-19-6-8-22(13)12-17(4-5-17)11-20-16(24)14-3-2-7-21(9-14)10-15(18)23/h6,8,14H,2-5,7,9-12H2,1H3,(H2,18,23)(H,20,24)
InChIKeyFVLLSJGKMSRUQU-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.29
Rot. Bonds7

About 1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide

1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide (PubChem CID 46989541) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide
PubChem CID46989541
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide
SMILESCc1nccn1CC1(CNC(=O)C2CCCN(CC(N)=O)C2)CC1
InChIInChI=1S/C17H27N5O2/c1-13-19-6-8-22(13)12-17(4-5-17)11-20-16(24)14-3-2-7-21(9-14)10-15(18)23/h6,8,14H,2-5,7,9-12H2,1H3,(H2,18,23)(H,20,24)
InChIKeyFVLLSJGKMSRUQU-UHFFFAOYSA-N
XLogP0.29
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide
CID 122563164
cis-(1S,2R)-2-N-(4-chlorophenyl)-1-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]cyclohexane-1,2-dicarboxamide
CID 131949598
1-(2-amino-2-oxoethyl)-N-[2-(1-hydroxycyclopentyl)ethyl]piperidine-3-carboxamide
CID 131907538
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43917353
(3R)-1-(2-amino-2-oxoethyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 97126751
1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 46998796
N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 122566518
(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161419
2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97285199
2-[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]ethanethioamide
CID 65498532
(3S)-1-(furan-2-ylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-3-carboxamide
CID 95046843
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43917335

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide (CID 46989541) is 1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide is Cc1nccn1CC1(CNC(=O)C2CCCN(CC(N)=O)C2)CC1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide?
The InChIKey is FVLLSJGKMSRUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13-19-6-8-22(13)12-17(4-5-17)11-20-16(24)14-3-2-7-21(9-14)10-15(18)23/h6,8,14H,2-5,7,9-12H2,1H3,(H2,18,23)(H,20,24).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide?
1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 46989541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).