N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide

C26H33N3O2 — CID 46404586

IUPACN-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NC3CCN(Cc4ccccc4)CC3)C2)cc1
InChIInChI=1S/C26H33N3O2/c1-20-9-11-22(12-10-20)26(31)29-15-5-8-23(19-29)25(30)27-24-13-16-28(17-14-24)18-21-6-3-2-4-7-21/h2-4,6-7,9-12,23-24H,5,8,13-19H2,1H3,(H,27,30)
InChIKeyMTFPZEYXRSSIDU-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.63
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide

N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 46404586) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
PubChem CID46404586
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NC3CCN(Cc4ccccc4)CC3)C2)cc1
InChIInChI=1S/C26H33N3O2/c1-20-9-11-22(12-10-20)26(31)29-15-5-8-23(19-29)25(30)27-24-13-16-28(17-14-24)18-21-6-3-2-4-7-21/h2-4,6-7,9-12,23-24H,5,8,13-19H2,1H3,(H,27,30)
InChIKeyMTFPZEYXRSSIDU-UHFFFAOYSA-N
XLogP3.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide
CID 93060233
N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
CID 42780010
N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide
CID 55882707
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 16613398
1-(4-methylbenzoyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-3-carboxamide
CID 55622704
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55746666
N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 55556316
ethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
CID 51725856
4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229696
1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
(3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide
CID 52523476

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide (CID 46404586) is N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)NC3CCN(Cc4ccccc4)CC3)C2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is MTFPZEYXRSSIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-20-9-11-22(12-10-20)26(31)29-15-5-8-23(19-29)25(30)27-24-13-16-28(17-14-24)18-21-6-3-2-4-7-21/h2-4,6-7,9-12,23-24H,5,8,13-19H2,1H3,(H,27,30).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 46404586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).