(3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide

C14H20N4O2 — CID 97135466

IUPAC(3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)[C@@H]1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C14H20N4O2/c19-13-4-1-10(8-18(13)12-2-3-12)14(20)16-6-5-11-7-15-9-17-11/h7,9-10,12H,1-6,8H2,(H,15,17)(H,16,20)/t10-/m1/s1
InChIKeyVWWCQZCSMNJXQX-SNVBAGLBSA-N
MW276.34 g/mol
LogP0.47
Rot. Bonds5

About (3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide

(3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 97135466) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID97135466
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)[C@@H]1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C14H20N4O2/c19-13-4-1-10(8-18(13)12-2-3-12)14(20)16-6-5-11-7-15-9-17-11/h7,9-10,12H,1-6,8H2,(H,15,17)(H,16,20)/t10-/m1/s1
InChIKeyVWWCQZCSMNJXQX-SNVBAGLBSA-N
XLogP0.47
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64982967
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 65232143
N-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 72876993
1-cycloheptyl-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 72877964
N-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide
CID 72876390
1-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42649268
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide
CID 65232091
(3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 42245576
1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 45238528
1-[(4-hydroxyphenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 142550467
N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 77091092
1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide
CID 45195665

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide (CID 97135466) is (3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide is O=C(NCCc1cnc[nH]1)[C@@H]1CCC(=O)N(C2CC2)C1.
What is the InChIKey of (3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is VWWCQZCSMNJXQX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-13-4-1-10(8-18(13)12-2-3-12)14(20)16-6-5-11-7-15-9-17-11/h7,9-10,12H,1-6,8H2,(H,15,17)(H,16,20)/t10-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide?
(3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97135466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).