(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)propanamide

C18H23FN4O — CID 95326426

IUPAC(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)N2CCC(n3ccnc3)CC2)cc1F
InChIInChI=1S/C18H23FN4O/c1-13-3-4-15(11-17(13)19)21-18(24)14(2)22-8-5-16(6-9-22)23-10-7-20-12-23/h3-4,7,10-12,14,16H,5-6,8-9H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyZONBKCAKVSVISE-AWEZNQCLSA-N
MW330.41 g/mol
LogP2.99
Rot. Bonds4

About (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)propanamide

(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)propanamide (PubChem CID 95326426) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)propanamide
PubChem CID95326426
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)N2CCC(n3ccnc3)CC2)cc1F
InChIInChI=1S/C18H23FN4O/c1-13-3-4-15(11-17(13)19)21-18(24)14(2)22-8-5-16(6-9-22)23-10-7-20-12-23/h3-4,7,10-12,14,16H,5-6,8-9H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyZONBKCAKVSVISE-AWEZNQCLSA-N
XLogP2.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-imidazol-1-ylpiperidin-1-yl)-N-naphthalen-2-ylpropanamide
CID 95321629
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444041
1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443641
N-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]propanamide
CID 87022050
ethyl N-[1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 52505479
(2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30623055
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17455398
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 9249085
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907159
(2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 30956481
N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 60500653
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9248397

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)propanamide?
The IUPAC name of (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)propanamide (CID 95326426) is (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)propanamide is Cc1ccc(NC(=O)[C@H](C)N2CCC(n3ccnc3)CC2)cc1F.
What is the InChIKey of (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)propanamide?
The InChIKey is ZONBKCAKVSVISE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-13-3-4-15(11-17(13)19)21-18(24)14(2)22-8-5-16(6-9-22)23-10-7-20-12-23/h3-4,7,10-12,14,16H,5-6,8-9H2,1-2H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)propanamide?
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)propanamide has a molecular weight of 330.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)propanamide is sourced from PubChem (CID 95326426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).