(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide

C21H31N5O — CID 97202915

IUPAC(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESCN(C)CCn1ccnc1[C@H]1CCCN(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C21H31N5O/c1-24(2)15-16-25-14-12-22-20(25)19-9-6-13-26(17-19)21(27)23-11-10-18-7-4-3-5-8-18/h3-5,7-8,12,14,19H,6,9-11,13,15-17H2,1-2H3,(H,23,27)/t19-/m0/s1
InChIKeyKPTRPAWHSLURED-IBGZPJMESA-N
MW369.51 g/mol
LogP2.58
Rot. Bonds7

About (3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide

(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide (PubChem CID 97202915) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is (3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
PubChem CID97202915
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESCN(C)CCn1ccnc1[C@H]1CCCN(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C21H31N5O/c1-24(2)15-16-25-14-12-22-20(25)19-9-6-13-26(17-19)21(27)23-11-10-18-7-4-3-5-8-18/h3-5,7-8,12,14,19H,6,9-11,13,15-17H2,1-2H3,(H,23,27)/t19-/m0/s1
InChIKeyKPTRPAWHSLURED-IBGZPJMESA-N
XLogP2.58
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 72867590
1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72839228
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 97198762
1-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 97275304
(3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide
CID 97193180
2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 72909815
1-[5-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 72842343
[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone
CID 97196493
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 97187446
1-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone
CID 97268736
[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 97202742
[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 72850501

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide (CID 97202915) is (3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide is CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)NCCc2ccccc2)C1.
What is the InChIKey of (3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The InChIKey is KPTRPAWHSLURED-IBGZPJMESA-N. The full InChI is InChI=1S/C21H31N5O/c1-24(2)15-16-25-14-12-22-20(25)19-9-6-13-26(17-19)21(27)23-11-10-18-7-4-3-5-8-18/h3-5,7-8,12,14,19H,6,9-11,13,15-17H2,1-2H3,(H,23,27)/t19-/m0/s1.
What are the key properties of (3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97202915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).