N-benzyl-N-methyl-1-[1-[(3R)-3,5,5-trimethylhexanoyl]piperidin-4-yl]piperidine-4-carboxamide

C28H45N3O2 — CID 93016800

IUPACN-benzyl-N-methyl-1-[1-[(3R)-3,5,5-trimethylhexanoyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESC[C@@H](CC(=O)N1CCC(N2CCC(C(=O)N(C)Cc3ccccc3)CC2)CC1)CC(C)(C)C
InChIInChI=1S/C28H45N3O2/c1-22(20-28(2,3)4)19-26(32)31-17-13-25(14-18-31)30-15-11-24(12-16-30)27(33)29(5)21-23-9-7-6-8-10-23/h6-10,22,24-25H,11-21H2,1-5H3/t22-/m0/s1
InChIKeyZJWBVEBEFMYSOM-QFIPXVFZSA-N
MW455.69 g/mol
LogP4.81
Rot. Bonds7

About N-benzyl-N-methyl-1-[1-[(3R)-3,5,5-trimethylhexanoyl]piperidin-4-yl]piperidine-4-carboxamide

N-benzyl-N-methyl-1-[1-[(3R)-3,5,5-trimethylhexanoyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 93016800) has the molecular formula C28H45N3O2 and a molecular weight of 455.69 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-[1-[(3R)-3,5,5-trimethylhexanoyl]piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-[1-[(3R)-3,5,5-trimethylhexanoyl]piperidin-4-yl]piperidine-4-carboxamide
PubChem CID93016800
Molecular FormulaC28H45N3O2
Molecular Weight455.69 g/mol
Exact Mass455.35
IUPAC NameN-benzyl-N-methyl-1-[1-[(3R)-3,5,5-trimethylhexanoyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESC[C@@H](CC(=O)N1CCC(N2CCC(C(=O)N(C)Cc3ccccc3)CC2)CC1)CC(C)(C)C
InChIInChI=1S/C28H45N3O2/c1-22(20-28(2,3)4)19-26(32)31-17-13-25(14-18-31)30-15-11-24(12-16-30)27(33)29(5)21-23-9-7-6-8-10-23/h6-10,22,24-25H,11-21H2,1-5H3/t22-/m0/s1
InChIKeyZJWBVEBEFMYSOM-QFIPXVFZSA-N
XLogP4.81
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.69
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-methyl-1-[1-[(3R)-3,5,5-trimethylhexanoyl]piperidin-4-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-benzyl-1-[1-(2-chloroacetyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693619
N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693651
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-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693650
N-benzyl-1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693664
N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142
1-(2,2-dimethylpropanoyl)-N-methyl-N-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 55580804
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
N-benzyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35552274
1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 134028771

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-[1-[(3R)-3,5,5-trimethylhexanoyl]piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-1-[1-[(3R)-3,5,5-trimethylhexanoyl]piperidin-4-yl]piperidine-4-carboxamide (CID 93016800) is N-benzyl-N-methyl-1-[1-[(3R)-3,5,5-trimethylhexanoyl]piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-1-[1-[(3R)-3,5,5-trimethylhexanoyl]piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-1-[1-[(3R)-3,5,5-trimethylhexanoyl]piperidin-4-yl]piperidine-4-carboxamide is C[C@@H](CC(=O)N1CCC(N2CCC(C(=O)N(C)Cc3ccccc3)CC2)CC1)CC(C)(C)C.
What is the InChIKey of N-benzyl-N-methyl-1-[1-[(3R)-3,5,5-trimethylhexanoyl]piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is ZJWBVEBEFMYSOM-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H45N3O2/c1-22(20-28(2,3)4)19-26(32)31-17-13-25(14-18-31)30-15-11-24(12-16-30)27(33)29(5)21-23-9-7-6-8-10-23/h6-10,22,24-25H,11-21H2,1-5H3/t22-/m0/s1.
What are the key properties of N-benzyl-N-methyl-1-[1-[(3R)-3,5,5-trimethylhexanoyl]piperidin-4-yl]piperidine-4-carboxamide?
N-benzyl-N-methyl-1-[1-[(3R)-3,5,5-trimethylhexanoyl]piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 455.69 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-[1-[(3R)-3,5,5-trimethylhexanoyl]piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 93016800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).