N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide

C20H23ClN2O2 — CID 17102771

IUPACN-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-14-9-11-23(12-10-14)19-8-5-16(13-18(19)21)22-20(24)15-3-6-17(25-2)7-4-15/h3-8,13-14H,9-12H2,1-2H3,(H,22,24)
InChIKeyMHRGIYPLVCZUTN-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.84
Rot. Bonds4

About N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide

N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide (PubChem CID 17102771) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide
PubChem CID17102771
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-14-9-11-23(12-10-14)19-8-5-16(13-18(19)21)22-20(24)15-3-6-17(25-2)7-4-15/h3-8,13-14H,9-12H2,1-2H3,(H,22,24)
InChIKeyMHRGIYPLVCZUTN-UHFFFAOYSA-N
XLogP4.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 17110233
N-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3439444
N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-4-methoxybenzamide
CID 3888477
3,4-dichloro-N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 17110231
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide
CID 1227276
4-methoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 15987844
N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 17110249
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]butanamide
CID 17102767
5-[(4-bromobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50807368
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-(2-methylpropoxy)benzamide
CID 23908443
4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 4018717
N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methoxybenzamide
CID 7379395

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide (CID 17102771) is N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1.
What is the InChIKey of N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide?
The InChIKey is MHRGIYPLVCZUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14-9-11-23(12-10-14)19-8-5-16(13-18(19)21)22-20(24)15-3-6-17(25-2)7-4-15/h3-8,13-14H,9-12H2,1-2H3,(H,22,24).
What are the key properties of N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide?
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide has a molecular weight of 358.87 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 17102771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).