N-[5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]acetamide

C24H31Cl2N5O — CID 53322508

IUPACN-[5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H](C)C2)c(Cl)c1
InChIInChI=1S/C24H31Cl2N5O/c1-17-15-30(24-23(26)13-21(14-27-24)28-18(2)32)11-12-31(17)22-7-9-29(10-8-22)16-19-3-5-20(25)6-4-19/h3-6,13-14,17,22H,7-12,15-16H2,1-2H3,(H,28,32)/t17-/m0/s1
InChIKeyFJPRMZQKEZIPFN-KRWDZBQOSA-N
MW476.45 g/mol
LogP4.52
Rot. Bonds5

About N-[5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]acetamide

N-[5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]acetamide (PubChem CID 53322508) has the molecular formula C24H31Cl2N5O and a molecular weight of 476.45 g/mol. Its IUPAC name is N-[5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]acetamide
PubChem CID53322508
Molecular FormulaC24H31Cl2N5O
Molecular Weight476.45 g/mol
Exact Mass475.19
IUPAC NameN-[5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H](C)C2)c(Cl)c1
InChIInChI=1S/C24H31Cl2N5O/c1-17-15-30(24-23(26)13-21(14-27-24)28-18(2)32)11-12-31(17)22-7-9-29(10-8-22)16-19-3-5-20(25)6-4-19/h3-6,13-14,17,22H,7-12,15-16H2,1-2H3,(H,28,32)/t17-/m0/s1
InChIKeyFJPRMZQKEZIPFN-KRWDZBQOSA-N
XLogP4.52
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]acetamide?
The IUPAC name of N-[5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]acetamide (CID 53322508) is N-[5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]acetamide is CC(=O)Nc1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H](C)C2)c(Cl)c1.
What is the InChIKey of N-[5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]acetamide?
The InChIKey is FJPRMZQKEZIPFN-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H31Cl2N5O/c1-17-15-30(24-23(26)13-21(14-27-24)28-18(2)32)11-12-31(17)22-7-9-29(10-8-22)16-19-3-5-20(25)6-4-19/h3-6,13-14,17,22H,7-12,15-16H2,1-2H3,(H,28,32)/t17-/m0/s1.
What are the key properties of N-[5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]acetamide?
N-[5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]acetamide has a molecular weight of 476.45 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 53322508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).