N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide

C24H35N3O2 — CID 42693651

IUPACN-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCN(C2CCN(C(=O)C3CCC3)CC2)CC1
InChIInChI=1S/C24H35N3O2/c1-25(18-19-6-3-2-4-7-19)23(28)21-10-14-26(15-11-21)22-12-16-27(17-13-22)24(29)20-8-5-9-20/h2-4,6-7,20-22H,5,8-18H2,1H3
InChIKeyBXHXTNPROBZKES-UHFFFAOYSA-N
MW397.56 g/mol
LogP3.15
Rot. Bonds5

About N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide

N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 42693651) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
PubChem CID42693651
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC NameN-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCN(C2CCN(C(=O)C3CCC3)CC2)CC1
InChIInChI=1S/C24H35N3O2/c1-25(18-19-6-3-2-4-7-19)23(28)21-10-14-26(15-11-21)22-12-16-27(17-13-22)24(29)20-8-5-9-20/h2-4,6-7,20-22H,5,8-18H2,1H3
InChIKeyBXHXTNPROBZKES-UHFFFAOYSA-N
XLogP3.15
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[1-(2-chloroacetyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693619
N-benzyl-N-methyl-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693660
N-benzyl-1-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693670
N-benzyl-1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693664
N-benzyl-N-methyl-1-[1-[(3R)-3,5,5-trimethylhexanoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 93016800
N-benzyl-1-[1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693650
1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881329
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-3-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 56860933
4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
CID 119376921
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide (CID 42693651) is N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide is CN(Cc1ccccc1)C(=O)C1CCN(C2CCN(C(=O)C3CCC3)CC2)CC1.
What is the InChIKey of N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is BXHXTNPROBZKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-25(18-19-6-3-2-4-7-19)23(28)21-10-14-26(15-11-21)22-12-16-27(17-13-22)24(29)20-8-5-9-20/h2-4,6-7,20-22H,5,8-18H2,1H3.
What are the key properties of N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide?
N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 397.56 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 42693651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).