N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide

C27H30ClN3O2 — CID 56962365

IUPACN-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1
InChIInChI=1S/C27H30ClN3O2/c1-18(32)30-13-9-19-5-3-4-6-22(19)20-7-8-24(26(28)15-20)25-17-29-12-10-23(25)21-11-14-31(2)27(33)16-21/h3-8,11,14-16,23,25,29H,9-10,12-13,17H2,1-2H3,(H,30,32)/t23-,25+/m1/s1
InChIKeyUMQZMTNEQMDJIG-NOZRDPDXSA-N
MW464.01 g/mol
LogP4.24
Rot. Bonds6

About N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide

N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide (PubChem CID 56962365) has the molecular formula C27H30ClN3O2 and a molecular weight of 464.01 g/mol. Its IUPAC name is N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide
PubChem CID56962365
Molecular FormulaC27H30ClN3O2
Molecular Weight464.01 g/mol
Exact Mass463.20
IUPAC NameN-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1
InChIInChI=1S/C27H30ClN3O2/c1-18(32)30-13-9-19-5-3-4-6-22(19)20-7-8-24(26(28)15-20)25-17-29-12-10-23(25)21-11-14-31(2)27(33)16-21/h3-8,11,14-16,23,25,29H,9-10,12-13,17H2,1-2H3,(H,30,32)/t23-,25+/m1/s1
InChIKeyUMQZMTNEQMDJIG-NOZRDPDXSA-N
XLogP4.24
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.01
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide (CID 56962365) is N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1.
What is the InChIKey of N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide?
The InChIKey is UMQZMTNEQMDJIG-NOZRDPDXSA-N. The full InChI is InChI=1S/C27H30ClN3O2/c1-18(32)30-13-9-19-5-3-4-6-22(19)20-7-8-24(26(28)15-20)25-17-29-12-10-23(25)21-11-14-31(2)27(33)16-21/h3-8,11,14-16,23,25,29H,9-10,12-13,17H2,1-2H3,(H,30,32)/t23-,25+/m1/s1.
What are the key properties of N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide?
N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide has a molecular weight of 464.01 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-chloro-4-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 56962365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).