(3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide

C16H25N5O2 — CID 96568857

IUPAC(3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCc1ncc[nH]1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C16H25N5O2/c22-15(19-10-14-17-7-8-18-14)12-4-3-9-21(11-12)16(23)20-13-5-1-2-6-13/h7-8,12-13H,1-6,9-11H2,(H,17,18)(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyJWHLFVUVOITYBL-GFCCVEGCSA-N
MW319.41 g/mol
LogP1.39
Rot. Bonds4

About (3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide

(3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide (PubChem CID 96568857) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is (3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide
PubChem CID96568857
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name(3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCc1ncc[nH]1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C16H25N5O2/c22-15(19-10-14-17-7-8-18-14)12-4-3-9-21(11-12)16(23)20-13-5-1-2-6-13/h7-8,12-13H,1-6,9-11H2,(H,17,18)(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyJWHLFVUVOITYBL-GFCCVEGCSA-N
XLogP1.39
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(1H-imidazol-2-yl)-N-[(1-tridecanoylpiperidin-2-yl)methyl]propanamide
CID 44330839
(2S,4S)-4-[(2,2-dimethylpropanoyl)amino]-N-(1H-imidazol-2-ylmethyl)-1-methylpyrrolidine-2-carboxamide
CID 56718025
rel-(4aS,8aR)-6-(1H-imidazol-2-ylmethyl)-1-(4-piperidinylmethyl)octahydro-1,6-naphthyridin-2(1H)-one dihydrochloride
CID 56901514
(4aS*,8aR*)-6-(1H-imidazol-2-ylmethyl)-1-isobutyloctahydro-1,6-naphthyridin-2(1H)-one
CID 56906800
(4aS*,8aR*)-6-(1H-imidazol-2-ylcarbonyl)-1-isobutyloctahydro-1,6-naphthyridin-2(1H)-one
CID 56914203
8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70777182
3-(1H-imidazol-2-yl)-1-(4,4,4-trifluorobutanoyl)piperidine
CID 70783442
8-(1H-Imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72852965
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 75424556
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 84585406
4-{[4-(1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-1-methyl-2-imidazolidinone
CID 70773690
(2S,5aS,8aR)-6-(1H-imidazol-2-ylmethyl)-1-methyl-2-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-5-one
CID 28961139

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide (CID 96568857) is (3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide is O=C(NCc1ncc[nH]1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1.
What is the InChIKey of (3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide?
The InChIKey is JWHLFVUVOITYBL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N5O2/c22-15(19-10-14-17-7-8-18-14)12-4-3-9-21(11-12)16(23)20-13-5-1-2-6-13/h7-8,12-13H,1-6,9-11H2,(H,17,18)(H,19,22)(H,20,23)/t12-/m1/s1.
What are the key properties of (3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide?
(3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 96568857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).