N-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)piperidine-1-carboxamide

C19H29N3O2 — CID 146666591

IUPACN-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(N3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-15-7-11-21(12-8-15)17-9-13-22(14-10-17)19(23)20-16-3-5-18(24-2)6-4-16/h3-6,15,17H,7-14H2,1-2H3,(H,20,23)
InChIKeyJPRVMRDFEUMYCB-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.42
Rot. Bonds3

About N-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)piperidine-1-carboxamide

N-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)piperidine-1-carboxamide (PubChem CID 146666591) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)piperidine-1-carboxamide
PubChem CID146666591
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(N3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-15-7-11-21(12-8-15)17-9-13-22(14-10-17)19(23)20-16-3-5-18(24-2)6-4-16/h3-6,15,17H,7-14H2,1-2H3,(H,20,23)
InChIKeyJPRVMRDFEUMYCB-UHFFFAOYSA-N
XLogP3.42
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)piperidine-1-carboxamide (CID 146666591) is N-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(N3CCC(C)CC3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)piperidine-1-carboxamide?
The InChIKey is JPRVMRDFEUMYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-7-11-21(12-8-15)17-9-13-22(14-10-17)19(23)20-16-3-5-18(24-2)6-4-16/h3-6,15,17H,7-14H2,1-2H3,(H,20,23).
What are the key properties of N-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)piperidine-1-carboxamide?
N-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)piperidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 146666591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).