(3S)-1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide

C22H32N4O — CID 95119867

IUPAC(3S)-1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide
SMILESCCCCc1c(-c2ccccc2)ncn1CCCN1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C22H32N4O/c1-2-3-12-20-21(18-9-5-4-6-10-18)24-17-26(20)15-8-14-25-13-7-11-19(16-25)22(23)27/h4-6,9-10,17,19H,2-3,7-8,11-16H2,1H3,(H2,23,27)/t19-/m0/s1
InChIKeyOPIWWCBLRGRSBH-IBGZPJMESA-N
MW368.53 g/mol
LogP3.48
Rot. Bonds9

About (3S)-1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide

(3S)-1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 95119867) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is (3S)-1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide
PubChem CID95119867
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name(3S)-1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide
SMILESCCCCc1c(-c2ccccc2)ncn1CCCN1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C22H32N4O/c1-2-3-12-20-21(18-9-5-4-6-10-18)24-17-26(20)15-8-14-25-13-7-11-19(16-25)22(23)27/h4-6,9-10,17,19H,2-3,7-8,11-16H2,1H3,(H2,23,27)/t19-/m0/s1
InChIKeyOPIWWCBLRGRSBH-IBGZPJMESA-N
XLogP3.48
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide
CID 50960859
(3S)-1-dodecylpiperidine-3-carboxamide
CID 98141559
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
(3S)-1-[3-[5-(3,5-difluorophenyl)-4-phenylimidazol-1-yl]propyl]piperidin-3-ol
CID 95144428
1-[3-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)propyl]piperidine-3-carboxamide
CID 45202620
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide
CID 77084193
(3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide
CID 99785633
1-[3-[[[(1-benzylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]propyl]piperidine-3-carboxamide
CID 110986288
ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride
CID 6603291
1-(3-bromopropyl)piperidine-3-carboxamide
CID 61287309
phenyl-(1-propylpiperidin-3-yl)methanone
CID 91406553
(3R)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458129

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide (CID 95119867) is (3S)-1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide is CCCCc1c(-c2ccccc2)ncn1CCCN1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is OPIWWCBLRGRSBH-IBGZPJMESA-N. The full InChI is InChI=1S/C22H32N4O/c1-2-3-12-20-21(18-9-5-4-6-10-18)24-17-26(20)15-8-14-25-13-7-11-19(16-25)22(23)27/h4-6,9-10,17,19H,2-3,7-8,11-16H2,1H3,(H2,23,27)/t19-/m0/s1.
What are the key properties of (3S)-1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide?
(3S)-1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 368.53 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 95119867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).