N-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-3-(4-phenylpiperidin-1-yl)propanamide

C25H29ClN4O — CID 57399392

IUPACN-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-3-(4-phenylpiperidin-1-yl)propanamide
SMILESCn1cc(C(NC(=O)CCN2CCC(c3ccccc3)CC2)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C25H29ClN4O/c1-29-18-22(17-27-29)25(21-7-9-23(26)10-8-21)28-24(31)13-16-30-14-11-20(12-15-30)19-5-3-2-4-6-19/h2-10,17-18,20,25H,11-16H2,1H3,(H,28,31)
InChIKeyQOCYFWBUTVFXBJ-UHFFFAOYSA-N
MW436.99 g/mol
LogP4.55
Rot. Bonds7

About N-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-3-(4-phenylpiperidin-1-yl)propanamide

N-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-3-(4-phenylpiperidin-1-yl)propanamide (PubChem CID 57399392) has the molecular formula C25H29ClN4O and a molecular weight of 436.99 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-3-(4-phenylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-3-(4-phenylpiperidin-1-yl)propanamide
PubChem CID57399392
Molecular FormulaC25H29ClN4O
Molecular Weight436.99 g/mol
Exact Mass436.20
IUPAC NameN-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-3-(4-phenylpiperidin-1-yl)propanamide
SMILESCn1cc(C(NC(=O)CCN2CCC(c3ccccc3)CC2)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C25H29ClN4O/c1-29-18-22(17-27-29)25(21-7-9-23(26)10-8-21)28-24(31)13-16-30-14-11-20(12-15-30)19-5-3-2-4-6-19/h2-10,17-18,20,25H,11-16H2,1H3,(H,28,31)
InChIKeyQOCYFWBUTVFXBJ-UHFFFAOYSA-N
XLogP4.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.99
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817090
N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 24817359
(4-(2-((1H-pyrazol-1-yl)methyl)phenyl)piperazin-1-yl)((3S,4R)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-3-yl)methanone
CID 44444438
[(1R)-1-[(1-benzylpyrazole-4-carbonyl)amino]-2-(4-chlorophenyl)ethyl]boronic acid
CID 155559942
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]carbonyl}piperidine
CID 117859683
N-[1-(4-chlorobenzyl)-3-piperidinyl]-5-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 24794132
1-(4-chlorobenzyl)-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817759
2-[1-(2,2-diphenylethyl)-3-oxo-2-piperazinyl]-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 16190265
1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-N-[3-(3-chlorophenyl)phenyl]isonipecotamide
CID 24790205
N-[3-(3-chlorophenyl)phenyl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]isonipecotamide
CID 24790275
N-[3-(3-chlorophenyl)phenyl]-1-[(1-isopropylpyrazol-4-yl)methyl]isonipecotamide
CID 24790786
N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]isonipecotamide
CID 24792012

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-3-(4-phenylpiperidin-1-yl)propanamide?
The IUPAC name of N-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-3-(4-phenylpiperidin-1-yl)propanamide (CID 57399392) is N-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-3-(4-phenylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-3-(4-phenylpiperidin-1-yl)propanamide?
The canonical SMILES for N-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-3-(4-phenylpiperidin-1-yl)propanamide is Cn1cc(C(NC(=O)CCN2CCC(c3ccccc3)CC2)c2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-3-(4-phenylpiperidin-1-yl)propanamide?
The InChIKey is QOCYFWBUTVFXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O/c1-29-18-22(17-27-29)25(21-7-9-23(26)10-8-21)28-24(31)13-16-30-14-11-20(12-15-30)19-5-3-2-4-6-19/h2-10,17-18,20,25H,11-16H2,1H3,(H,28,31).
What are the key properties of N-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-3-(4-phenylpiperidin-1-yl)propanamide?
N-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-3-(4-phenylpiperidin-1-yl)propanamide has a molecular weight of 436.99 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]-3-(4-phenylpiperidin-1-yl)propanamide is sourced from PubChem (CID 57399392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).