1-(cyclopentanecarbonyl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]piperidine-4-carboxamide

C19H30N4O2 — CID 90653661

IUPAC1-(cyclopentanecarbonyl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]piperidine-4-carboxamide
SMILESCc1ncn(CCNC(=O)C2CCN(C(=O)C3CCCC3)CC2)c1C
InChIInChI=1S/C19H30N4O2/c1-14-15(2)23(13-21-14)12-9-20-18(24)16-7-10-22(11-8-16)19(25)17-5-3-4-6-17/h13,16-17H,3-12H2,1-2H3,(H,20,24)
InChIKeyFJKUSYRSCDMQTE-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.04
Rot. Bonds5

About 1-(cyclopentanecarbonyl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]piperidine-4-carboxamide

1-(cyclopentanecarbonyl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 90653661) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID90653661
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-(cyclopentanecarbonyl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]piperidine-4-carboxamide
SMILESCc1ncn(CCNC(=O)C2CCN(C(=O)C3CCCC3)CC2)c1C
InChIInChI=1S/C19H30N4O2/c1-14-15(2)23(13-21-14)12-9-20-18(24)16-7-10-22(11-8-16)19(25)17-5-3-4-6-17/h13,16-17H,3-12H2,1-2H3,(H,20,24)
InChIKeyFJKUSYRSCDMQTE-UHFFFAOYSA-N
XLogP2.04
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-amino-4,5-dicyanoimidazol-1-yl)ethyl]cyclopentanecarboxamide
CID 75446480
(2S)-2-acetamido-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentanamide
CID 100066644
N-[2-(2,5-Dimethyl-1H-imidazol-1-YL)ethyl]cyclopentanecarboxamide
CID 124048997
2-methyl-1-[(3S)-3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 164633411
2-[2-(dimethylamino)ethyl]-9-[(4,5-dimethyl-1H-imidazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72842052
(4S)-1-cyclopentyl-4-{[(4,5-dimethyl-1H-imidazol-1-yl)acetyl]amino}-N-ethyl-L-prolinamide
CID 72844763
1-(cyclopentylcarbonyl)-N-methyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-4-piperidinecarboxamide
CID 72904579
7-(cyclobutylmethyl)-2-[(4,5-dimethyl-1H-imidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72932839
4-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-methylbutanamide
CID 57286965
N-[2-(4,5-dimethyl-2-piperidin-3-ylimidazol-1-yl)ethyl]acetamide
CID 66791491
(3S)-1-[(2S)-1-[4-[(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685714
(3S)-1-[1-[4-[(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685715

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]piperidine-4-carboxamide (CID 90653661) is 1-(cyclopentanecarbonyl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]piperidine-4-carboxamide is Cc1ncn(CCNC(=O)C2CCN(C(=O)C3CCCC3)CC2)c1C.
What is the InChIKey of 1-(cyclopentanecarbonyl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is FJKUSYRSCDMQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14-15(2)23(13-21-14)12-9-20-18(24)16-7-10-22(11-8-16)19(25)17-5-3-4-6-17/h13,16-17H,3-12H2,1-2H3,(H,20,24).
What are the key properties of 1-(cyclopentanecarbonyl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]piperidine-4-carboxamide?
1-(cyclopentanecarbonyl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 90653661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).