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

C21H31N3O3 — CID 42881212

IUPACN-(4-methoxyphenyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide
SMILESCCC(=O)N1CCC(N2CCC(C(=O)Nc3ccc(OC)cc3)CC2)CC1
InChIInChI=1S/C21H31N3O3/c1-3-20(25)24-14-10-18(11-15-24)23-12-8-16(9-13-23)21(26)22-17-4-6-19(27-2)7-5-17/h4-7,16,18H,3,8-15H2,1-2H3,(H,22,26)
InChIKeyYIFGREAUIWNWPL-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.75
Rot. Bonds5

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

N-(4-methoxyphenyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide (PubChem CID 42881212) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide
PubChem CID42881212
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-(4-methoxyphenyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide
SMILESCCC(=O)N1CCC(N2CCC(C(=O)Nc3ccc(OC)cc3)CC2)CC1
InChIInChI=1S/C21H31N3O3/c1-3-20(25)24-14-10-18(11-15-24)23-12-8-16(9-13-23)21(26)22-17-4-6-19(27-2)7-5-17/h4-7,16,18H,3,8-15H2,1-2H3,(H,22,26)
InChIKeyYIFGREAUIWNWPL-UHFFFAOYSA-N
XLogP2.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-acetylpiperidin-4-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 42693365
1-[1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 42881229
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 113007524
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
N-(4-methoxyphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693373
1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007799
1-[2-(4-methoxyphenyl)acetyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006818
1-(1-acetylpiperidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 42881192
4-N-(4-methoxyphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428723
N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113006432
4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144385
1-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 16909192

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide (CID 42881212) is N-(4-methoxyphenyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide is CCC(=O)N1CCC(N2CCC(C(=O)Nc3ccc(OC)cc3)CC2)CC1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide?
The InChIKey is YIFGREAUIWNWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-3-20(25)24-14-10-18(11-15-24)23-12-8-16(9-13-23)21(26)22-17-4-6-19(27-2)7-5-17/h4-7,16,18H,3,8-15H2,1-2H3,(H,22,26).
What are the key properties of N-(4-methoxyphenyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide?
N-(4-methoxyphenyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 42881212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).