N-benzyl-1-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide

C28H37N3O4 — CID 42693670

IUPACN-benzyl-1-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(N2CCC(C(=O)N(C)Cc3ccccc3)CC2)CC1
InChIInChI=1S/C28H37N3O4/c1-29(20-21-8-5-4-6-9-21)27(32)22-12-16-30(17-13-22)23-14-18-31(19-15-23)28(33)26-24(34-2)10-7-11-25(26)35-3/h4-11,22-23H,12-20H2,1-3H3
InChIKeyLQMVRRIRIDUVDC-UHFFFAOYSA-N
MW479.62 g/mol
LogP3.68
Rot. Bonds7

About N-benzyl-1-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide

N-benzyl-1-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 42693670) has the molecular formula C28H37N3O4 and a molecular weight of 479.62 g/mol. Its IUPAC name is N-benzyl-1-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
PubChem CID42693670
Molecular FormulaC28H37N3O4
Molecular Weight479.62 g/mol
Exact Mass479.28
IUPAC NameN-benzyl-1-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(N2CCC(C(=O)N(C)Cc3ccccc3)CC2)CC1
InChIInChI=1S/C28H37N3O4/c1-29(20-21-8-5-4-6-9-21)27(32)22-12-16-30(17-13-22)23-14-18-31(19-15-23)28(33)26-24(34-2)10-7-11-25(26)35-3/h4-11,22-23H,12-20H2,1-3H3
InChIKeyLQMVRRIRIDUVDC-UHFFFAOYSA-N
XLogP3.68
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693664
N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693651
N-benzyl-1-[1-(2-chloroacetyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693619
N-benzyl-1-[1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693650
1-(2,6-dimethoxybenzoyl)-N-methyl-N-phenylpiperidine-4-carboxamide
CID 113006226
N-benzyl-N-methyl-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693660
N-benzyl-N-methyl-1-[1-[(3R)-3,5,5-trimethylhexanoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 93016800
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
N-benzyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35552274
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
CID 163328607
N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide (CID 42693670) is N-benzyl-1-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide is COc1cccc(OC)c1C(=O)N1CCC(N2CCC(C(=O)N(C)Cc3ccccc3)CC2)CC1.
What is the InChIKey of N-benzyl-1-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is LQMVRRIRIDUVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O4/c1-29(20-21-8-5-4-6-9-21)27(32)22-12-16-30(17-13-22)23-14-18-31(19-15-23)28(33)26-24(34-2)10-7-11-25(26)35-3/h4-11,22-23H,12-20H2,1-3H3.
What are the key properties of N-benzyl-1-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide?
N-benzyl-1-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 479.62 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 42693670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).