(2R)-2-(4-imidazol-1-ylpiperidin-1-yl)-N-naphthalen-2-ylpropanamide

C21H24N4O — CID 95321629

IUPAC(2R)-2-(4-imidazol-1-ylpiperidin-1-yl)-N-naphthalen-2-ylpropanamide
SMILESC[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C21H24N4O/c1-16(24-11-8-20(9-12-24)25-13-10-22-15-25)21(26)23-19-7-6-17-4-2-3-5-18(17)14-19/h2-7,10,13-16,20H,8-9,11-12H2,1H3,(H,23,26)/t16-/m1/s1
InChIKeyINBOIUNPBGMQDD-MRXNPFEDSA-N
MW348.45 g/mol
LogP3.70
Rot. Bonds4

About (2R)-2-(4-imidazol-1-ylpiperidin-1-yl)-N-naphthalen-2-ylpropanamide

(2R)-2-(4-imidazol-1-ylpiperidin-1-yl)-N-naphthalen-2-ylpropanamide (PubChem CID 95321629) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (2R)-2-(4-imidazol-1-ylpiperidin-1-yl)-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-imidazol-1-ylpiperidin-1-yl)-N-naphthalen-2-ylpropanamide
PubChem CID95321629
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(2R)-2-(4-imidazol-1-ylpiperidin-1-yl)-N-naphthalen-2-ylpropanamide
SMILESC[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C21H24N4O/c1-16(24-11-8-20(9-12-24)25-13-10-22-15-25)21(26)23-19-7-6-17-4-2-3-5-18(17)14-19/h2-7,10,13-16,20H,8-9,11-12H2,1H3,(H,23,26)/t16-/m1/s1
InChIKeyINBOIUNPBGMQDD-MRXNPFEDSA-N
XLogP3.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)propanamide
CID 95326426
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-ylpropanamide
CID 2108911
N-[(4-fluorophenyl)methyl]-1-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55839313
(2R)-N-naphthalen-2-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720791
ethyl 1-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 46800902
(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
CID 58642005
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
CID 60607932
N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 86918794
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
CID 78962370
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
(2R)-N-phenyl-2-(4-phenylpiperidin-1-yl)propanamide
CID 125483089
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-imidazol-1-ylpiperidin-1-yl)-N-naphthalen-2-ylpropanamide?
The IUPAC name of (2R)-2-(4-imidazol-1-ylpiperidin-1-yl)-N-naphthalen-2-ylpropanamide (CID 95321629) is (2R)-2-(4-imidazol-1-ylpiperidin-1-yl)-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2R)-2-(4-imidazol-1-ylpiperidin-1-yl)-N-naphthalen-2-ylpropanamide?
The canonical SMILES for (2R)-2-(4-imidazol-1-ylpiperidin-1-yl)-N-naphthalen-2-ylpropanamide is C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCC(n2ccnc2)CC1.
What is the InChIKey of (2R)-2-(4-imidazol-1-ylpiperidin-1-yl)-N-naphthalen-2-ylpropanamide?
The InChIKey is INBOIUNPBGMQDD-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16(24-11-8-20(9-12-24)25-13-10-22-15-25)21(26)23-19-7-6-17-4-2-3-5-18(17)14-19/h2-7,10,13-16,20H,8-9,11-12H2,1H3,(H,23,26)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-imidazol-1-ylpiperidin-1-yl)-N-naphthalen-2-ylpropanamide?
(2R)-2-(4-imidazol-1-ylpiperidin-1-yl)-N-naphthalen-2-ylpropanamide has a molecular weight of 348.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-imidazol-1-ylpiperidin-1-yl)-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 95321629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).