(2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide

C15H26N4O — CID 97216449

IUPAC(2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide
SMILESCC(C)N1CCCC[C@H]1C(=O)NCCc1nccn1C
InChIInChI=1S/C15H26N4O/c1-12(2)19-10-5-4-6-13(19)15(20)17-8-7-14-16-9-11-18(14)3/h9,11-13H,4-8,10H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyQQYAUVXPQMZOJD-ZDUSSCGKSA-N
MW278.40 g/mol
LogP1.34
Rot. Bonds5

About (2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide

(2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide (PubChem CID 97216449) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide
PubChem CID97216449
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide
SMILESCC(C)N1CCCC[C@H]1C(=O)NCCc1nccn1C
InChIInChI=1S/C15H26N4O/c1-12(2)19-10-5-4-6-13(19)15(20)17-8-7-14-16-9-11-18(14)3/h9,11-13H,4-8,10H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyQQYAUVXPQMZOJD-ZDUSSCGKSA-N
XLogP1.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 86791142
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2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 79388870
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
CID 91834859
1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea
CID 116508143
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 154749067
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CID 61214993
2-(butan-2-ylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 61210159
2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide
CID 61212990
(2S)-1-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]azepane-2-carboxamide
CID 97138987
1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 81171638
(2R)-2-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78977343

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide (CID 97216449) is (2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide is CC(C)N1CCCC[C@H]1C(=O)NCCc1nccn1C.
What is the InChIKey of (2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide?
The InChIKey is QQYAUVXPQMZOJD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)19-10-5-4-6-13(19)15(20)17-8-7-14-16-9-11-18(14)3/h9,11-13H,4-8,10H2,1-3H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide?
(2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 97216449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).