(3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide

C19H27N5O — CID 95969150

IUPAC(3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC[C@@H](N(C)C)C1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C19H27N5O/c1-15(16-6-4-7-17(12-16)24-11-9-20-14-24)21-19(25)23-10-5-8-18(13-23)22(2)3/h4,6-7,9,11-12,14-15,18H,5,8,10,13H2,1-3H3,(H,21,25)/t15-,18+/m0/s1
InChIKeyBYHPWTZAIKFUFS-MAUKXSAKSA-N
MW341.46 g/mol
LogP2.67
Rot. Bonds4

About (3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide

(3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 95969150) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
PubChem CID95969150
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC[C@@H](N(C)C)C1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C19H27N5O/c1-15(16-6-4-7-17(12-16)24-11-9-20-14-24)21-19(25)23-10-5-8-18(13-23)22(2)3/h4,6-7,9,11-12,14-15,18H,5,8,10,13H2,1-3H3,(H,21,25)/t15-,18+/m0/s1
InChIKeyBYHPWTZAIKFUFS-MAUKXSAKSA-N
XLogP2.67
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 95969134
(3R)-N-[(1R)-1-(3-acetamidophenyl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide
CID 95598565
N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide
CID 175743937
(2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637803
1-cyclopentyl-N-[1-(3-imidazol-1-ylphenyl)ethyl]piperidin-4-amine
CID 154750461
5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 99817467
1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95969128
3-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 95969130
1-(3-imidazol-1-ylphenyl)ethanol
CID 50973411
(2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120942758
N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942551
N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
CID 119899645

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide (CID 95969150) is (3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide is C[C@H](NC(=O)N1CCC[C@@H](N(C)C)C1)c1cccc(-n2ccnc2)c1.
What is the InChIKey of (3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is BYHPWTZAIKFUFS-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H27N5O/c1-15(16-6-4-7-17(12-16)24-11-9-20-14-24)21-19(25)23-10-5-8-18(13-23)22(2)3/h4,6-7,9,11-12,14-15,18H,5,8,10,13H2,1-3H3,(H,21,25)/t15-,18+/m0/s1.
What are the key properties of (3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide?
(3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 95969150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).