[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone

C25H30N4O — CID 23285129

IUPAC[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone
SMILESCc1ccn(-c2ccc(C(=O)N3CCC(N(C)CCc4ccccc4)CC3)cc2)n1
InChIInChI=1S/C25H30N4O/c1-20-12-19-29(26-20)24-10-8-22(9-11-24)25(30)28-17-14-23(15-18-28)27(2)16-13-21-6-4-3-5-7-21/h3-12,19,23H,13-18H2,1-2H3
InChIKeyUCNQOJYUUZSPGK-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.96
Rot. Bonds6

About [4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone

[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone (PubChem CID 23285129) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is [4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone
PubChem CID23285129
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone
SMILESCc1ccn(-c2ccc(C(=O)N3CCC(N(C)CCc4ccccc4)CC3)cc2)n1
InChIInChI=1S/C25H30N4O/c1-20-12-19-29(26-20)24-10-8-22(9-11-24)25(30)28-17-14-23(15-18-28)27(2)16-13-21-6-4-3-5-7-21/h3-12,19,23H,13-18H2,1-2H3
InChIKeyUCNQOJYUUZSPGK-UHFFFAOYSA-N
XLogP3.96
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 23284910
[4-[methyl(2-pyridin-3-ylethyl)amino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 23285087
[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone
CID 23285008
1,1,3-trimethyl-3-[4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 23285019
[4-[methyl(2-pyridin-3-ylethyl)amino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;trihydrochloride
CID 23285086
[4-[2-(4-methoxyphenyl)ethyl-methylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 23285036
5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 23284933
1-tert-butyl-1-[4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 70103958
[3,5-dimethyl-4-(propylamino)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 102052463
2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285051
2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285133
[4-[2-aminoethyl(methyl)amino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride
CID 23285102

Frequently Asked Questions

What is the IUPAC name of [4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone?
The IUPAC name of [4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone (CID 23285129) is [4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone?
The canonical SMILES for [4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone is Cc1ccn(-c2ccc(C(=O)N3CCC(N(C)CCc4ccccc4)CC3)cc2)n1.
What is the InChIKey of [4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone?
The InChIKey is UCNQOJYUUZSPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-20-12-19-29(26-20)24-10-8-22(9-11-24)25(30)28-17-14-23(15-18-28)27(2)16-13-21-6-4-3-5-7-21/h3-12,19,23H,13-18H2,1-2H3.
What are the key properties of [4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone?
[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone has a molecular weight of 402.54 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 23285129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).