N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide

C27H30ClN3O — CID 24731148

IUPACN-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(CCc1ccccc1)C1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H30ClN3O/c28-25-10-8-23(9-11-25)12-17-30-18-14-26(15-19-30)31(20-13-22-5-2-1-3-6-22)27(32)24-7-4-16-29-21-24/h1-11,16,21,26H,12-15,17-20H2
InChIKeyGHAXRBGPZJHUAH-UHFFFAOYSA-N
MW448.01 g/mol
LogP5.13
Rot. Bonds8

About N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide

N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 24731148) has the molecular formula C27H30ClN3O and a molecular weight of 448.01 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID24731148
Molecular FormulaC27H30ClN3O
Molecular Weight448.01 g/mol
Exact Mass447.21
IUPAC NameN-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(CCc1ccccc1)C1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H30ClN3O/c28-25-10-8-23(9-11-25)12-17-30-18-14-26(15-19-30)31(20-13-22-5-2-1-3-6-22)27(32)24-7-4-16-29-21-24/h1-11,16,21,26H,12-15,17-20H2
InChIKeyGHAXRBGPZJHUAH-UHFFFAOYSA-N
XLogP5.13
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.01
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]pyridine-3-carboxamide
CID 24732014
N-[2-(4-chlorophenyl)ethyl]-N-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]benzamide
CID 44589629
(E)-3-hydroxy-1-[1-(2-phenylethyl)piperidin-4-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 22911495
N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24732544
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 24731464
N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851901
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide
CID 21413251
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)furan-2-carboxamide
CID 24731871
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide
CID 23223142
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554
4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 23644580
4-chloro-N-(3-methoxypropyl)-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 57484490

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide (CID 24731148) is N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide is O=C(c1cccnc1)N(CCc1ccccc1)C1CCN(CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is GHAXRBGPZJHUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN3O/c28-25-10-8-23(9-11-25)12-17-30-18-14-26(15-19-30)31(20-13-22-5-2-1-3-6-22)27(32)24-7-4-16-29-21-24/h1-11,16,21,26H,12-15,17-20H2.
What are the key properties of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide?
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 448.01 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 24731148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).