4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide

C21H31N5O — CID 72867590

IUPAC4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESCN(C)CCn1ccnc1C1CCN(C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C21H31N5O/c1-24(2)16-17-25-15-12-22-20(25)19-9-13-26(14-10-19)21(27)23-11-8-18-6-4-3-5-7-18/h3-7,12,15,19H,8-11,13-14,16-17H2,1-2H3,(H,23,27)
InChIKeyRQSLISMVOKJXBB-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.58
Rot. Bonds7

About 4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide

4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide (PubChem CID 72867590) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
PubChem CID72867590
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESCN(C)CCn1ccnc1C1CCN(C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C21H31N5O/c1-24(2)16-17-25-15-12-22-20(25)19-9-13-26(14-10-19)21(27)23-11-8-18-6-4-3-5-7-18/h3-7,12,15,19H,8-11,13-14,16-17H2,1-2H3,(H,23,27)
InChIKeyRQSLISMVOKJXBB-UHFFFAOYSA-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

(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 97202915
4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 72864352
4-[(2-methylimidazol-1-yl)methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 71781142
(2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one
CID 97206870
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
(2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
CID 97284668
N-(2-phenylethyl)-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carboxamide
CID 119060560
2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 72909815
[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 72940770
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

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide (CID 72867590) is 4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide is CN(C)CCn1ccnc1C1CCN(C(=O)NCCc2ccccc2)CC1.
What is the InChIKey of 4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The InChIKey is RQSLISMVOKJXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-24(2)16-17-25-15-12-22-20(25)19-9-13-26(14-10-19)21(27)23-11-8-18-6-4-3-5-7-18/h3-7,12,15,19H,8-11,13-14,16-17H2,1-2H3,(H,23,27).
What are the key properties of 4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
4-[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 4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 72867590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).