(2S)-N-cyclopropyl-2-(4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide

C21H27FN4O — CID 124752238

IUPAC(2S)-N-cyclopropyl-2-(4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide
SMILESCn1cc(CN(C(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)C2CC2)cn1
InChIInChI=1S/C21H27FN4O/c1-24-14-16(13-23-24)15-26(19-9-10-19)21(27)20(25-11-3-2-4-12-25)17-5-7-18(22)8-6-17/h5-8,13-14,19-20H,2-4,9-12,15H2,1H3/t20-/m0/s1
InChIKeyIZUKKXNENSFQHM-FQEVSTJZSA-N
MW370.47 g/mol
LogP3.28
Rot. Bonds6

About (2S)-N-cyclopropyl-2-(4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide

(2S)-N-cyclopropyl-2-(4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide (PubChem CID 124752238) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-(4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-(4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide
PubChem CID124752238
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name(2S)-N-cyclopropyl-2-(4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide
SMILESCn1cc(CN(C(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)C2CC2)cn1
InChIInChI=1S/C21H27FN4O/c1-24-14-16(13-23-24)15-26(19-9-10-19)21(27)20(25-11-3-2-4-12-25)17-5-7-18(22)8-6-17/h5-8,13-14,19-20H,2-4,9-12,15H2,1H3/t20-/m0/s1
InChIKeyIZUKKXNENSFQHM-FQEVSTJZSA-N
XLogP3.28
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 119060916
1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 72865138
(3R,4S)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120919863
1-cyclopropyl-3-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 125439921
2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
CID 82114619
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91762125
3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 86912681
N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide
CID 103603514
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438648
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024531
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 94612179
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 107904215

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-(4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-(4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide (CID 124752238) is (2S)-N-cyclopropyl-2-(4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-(4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-(4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide is Cn1cc(CN(C(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)C2CC2)cn1.
What is the InChIKey of (2S)-N-cyclopropyl-2-(4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide?
The InChIKey is IZUKKXNENSFQHM-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-24-14-16(13-23-24)15-26(19-9-10-19)21(27)20(25-11-3-2-4-12-25)17-5-7-18(22)8-6-17/h5-8,13-14,19-20H,2-4,9-12,15H2,1H3/t20-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-(4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide?
(2S)-N-cyclopropyl-2-(4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide has a molecular weight of 370.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-(4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 124752238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).