(2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide

C17H34N2O — CID 120616325

IUPAC(2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C17H34N2O/c1-13(2)7-10-19(11-8-14(3)4)17(20)16-6-9-18-15(5)12-16/h13-16,18H,6-12H2,1-5H3/t15-,16-/m0/s1
InChIKeyQRGFMFWTBLMFSD-HOTGVXAUSA-N
MW282.47 g/mol
LogP3.30
Rot. Bonds7

About (2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide

(2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 120616325) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide
PubChem CID120616325
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name(2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C17H34N2O/c1-13(2)7-10-19(11-8-14(3)4)17(20)16-6-9-18-15(5)12-16/h13-16,18H,6-12H2,1-5H3/t15-,16-/m0/s1
InChIKeyQRGFMFWTBLMFSD-HOTGVXAUSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120623080
(2S,4S)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120639366
(2S,4S)-N,N-bis(2-methoxyethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616330
2-methyl-N-propan-2-yl-N-propylpiperidine-4-carboxamide
CID 106738743
(2S,4S)-N-(cyclopropylmethyl)-2-methyl-N-propylpiperidine-4-carboxamide
CID 120616807
(2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120624137
(2S,4S)-N-cyclopropyl-2-methyl-N-propylpiperidine-4-carboxamide
CID 120635725
methyl 2-[2-ethylbutyl-(2-methylpiperidine-4-carbonyl)amino]acetate
CID 106739382
N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidine-4-carboxamide
CID 106739333
6-methyl-N,N-bis(3-methylbutyl)piperidine-2-carboxamide
CID 107869879
N-(1-methoxypropan-2-yl)-N,2-dimethylpiperidine-4-carboxamide
CID 106739418
4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide
CID 79510877

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide (CID 120616325) is (2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide is CC(C)CCN(CCC(C)C)C(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is QRGFMFWTBLMFSD-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H34N2O/c1-13(2)7-10-19(11-8-14(3)4)17(20)16-6-9-18-15(5)12-16/h13-16,18H,6-12H2,1-5H3/t15-,16-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide?
(2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 282.47 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 120616325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).