4-chloro-3-naphthalen-2-yl-N-(piperidin-4-ylmethyl)benzamide

C23H23ClN2O — CID 68551759

IUPAC4-chloro-3-naphthalen-2-yl-N-(piperidin-4-ylmethyl)benzamide
SMILESO=C(NCC1CCNCC1)c1ccc(Cl)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C23H23ClN2O/c24-22-8-7-20(23(27)26-15-16-9-11-25-12-10-16)14-21(22)19-6-5-17-3-1-2-4-18(17)13-19/h1-8,13-14,16,25H,9-12,15H2,(H,26,27)
InChIKeyOVMJVLVQQVHVDE-UHFFFAOYSA-N
MW378.90 g/mol
LogP4.89
Rot. Bonds4

About 4-chloro-3-naphthalen-2-yl-N-(piperidin-4-ylmethyl)benzamide

4-chloro-3-naphthalen-2-yl-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 68551759) has the molecular formula C23H23ClN2O and a molecular weight of 378.90 g/mol. Its IUPAC name is 4-chloro-3-naphthalen-2-yl-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-naphthalen-2-yl-N-(piperidin-4-ylmethyl)benzamide
PubChem CID68551759
Molecular FormulaC23H23ClN2O
Molecular Weight378.90 g/mol
Exact Mass378.15
IUPAC Name4-chloro-3-naphthalen-2-yl-N-(piperidin-4-ylmethyl)benzamide
SMILESO=C(NCC1CCNCC1)c1ccc(Cl)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C23H23ClN2O/c24-22-8-7-20(23(27)26-15-16-9-11-25-12-10-16)14-21(22)19-6-5-17-3-1-2-4-18(17)13-19/h1-8,13-14,16,25H,9-12,15H2,(H,26,27)
InChIKeyOVMJVLVQQVHVDE-UHFFFAOYSA-N
XLogP4.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
CID 80564611
4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide
CID 81295068
N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 22260995
N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 106126364
N-[[1-(2-bromoacetyl)piperidin-4-yl]methyl]-4-chloro-3-(4-phenylphenyl)benzamide
CID 90794043
N-(piperidin-4-ylmethyl)-1H-indole-5-carboxamide
CID 63747736
tert-butyl 4-[[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]methyl]piperidine-1-carboxylate
CID 58791136
N-(cyclopropylmethyl)-5-piperidin-4-ylnaphthalene-2-carboxamide
CID 171396916
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
4-hydroxy-3-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107671970
3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271818
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-naphthalen-2-yl-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 4-chloro-3-naphthalen-2-yl-N-(piperidin-4-ylmethyl)benzamide (CID 68551759) is 4-chloro-3-naphthalen-2-yl-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-3-naphthalen-2-yl-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-3-naphthalen-2-yl-N-(piperidin-4-ylmethyl)benzamide is O=C(NCC1CCNCC1)c1ccc(Cl)c(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 4-chloro-3-naphthalen-2-yl-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is OVMJVLVQQVHVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O/c24-22-8-7-20(23(27)26-15-16-9-11-25-12-10-16)14-21(22)19-6-5-17-3-1-2-4-18(17)13-19/h1-8,13-14,16,25H,9-12,15H2,(H,26,27).
What are the key properties of 4-chloro-3-naphthalen-2-yl-N-(piperidin-4-ylmethyl)benzamide?
4-chloro-3-naphthalen-2-yl-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 378.90 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-naphthalen-2-yl-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 68551759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).