[(1S,3R)-3-aminocyclopentyl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C20H27N5O — CID 72876467

IUPAC[(1S,3R)-3-aminocyclopentyl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESN[C@@H]1CC[C@H](C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)C1
InChIInChI=1S/C20H27N5O/c21-18-2-1-17(13-18)20(26)24-10-5-16(6-11-24)19-23-9-12-25(19)14-15-3-7-22-8-4-15/h3-4,7-9,12,16-18H,1-2,5-6,10-11,13-14,21H2/t17-,18+/m0/s1
InChIKeyVJKCNGQQQKNHCX-ZWKOTPCHSA-N
MW353.47 g/mol
LogP2.16
Rot. Bonds4

About [(1S,3R)-3-aminocyclopentyl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

[(1S,3R)-3-aminocyclopentyl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72876467) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is [(1S,3R)-3-aminocyclopentyl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-3-aminocyclopentyl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72876467
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name[(1S,3R)-3-aminocyclopentyl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESN[C@@H]1CC[C@H](C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)C1
InChIInChI=1S/C20H27N5O/c21-18-2-1-17(13-18)20(26)24-10-5-16(6-11-24)19-23-9-12-25(19)14-15-3-7-22-8-4-15/h3-4,7-9,12,16-18H,1-2,5-6,10-11,13-14,21H2/t17-,18+/m0/s1
InChIKeyVJKCNGQQQKNHCX-ZWKOTPCHSA-N
XLogP2.16
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S,3R)-3-aminocyclopentyl]-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72881621
2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 72915173
[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride
CID 154899926
N-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 72900440
cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97127492
3-(4-hydroxyphenyl)-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 72867933
(3,4-dimethylphenyl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72892381
(2R)-2-(methylamino)-2-phenyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97276167
4-(1H-pyrazol-4-yl)-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one
CID 72938712
N-[(2R)-3-methyl-1-oxo-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-2-yl]acetamide
CID 97281199
[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 72842076
(2-methyloxolan-2-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72855788

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-aminocyclopentyl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [(1S,3R)-3-aminocyclopentyl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72876467) is [(1S,3R)-3-aminocyclopentyl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [(1S,3R)-3-aminocyclopentyl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [(1S,3R)-3-aminocyclopentyl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is N[C@@H]1CC[C@H](C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)C1.
What is the InChIKey of [(1S,3R)-3-aminocyclopentyl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is VJKCNGQQQKNHCX-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H27N5O/c21-18-2-1-17(13-18)20(26)24-10-5-16(6-11-24)19-23-9-12-25(19)14-15-3-7-22-8-4-15/h3-4,7-9,12,16-18H,1-2,5-6,10-11,13-14,21H2/t17-,18+/m0/s1.
What are the key properties of [(1S,3R)-3-aminocyclopentyl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
[(1S,3R)-3-aminocyclopentyl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-aminocyclopentyl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72876467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).