2-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide

C14H29N3O — CID 69468054

IUPAC2-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC(C)(C)C)C1CCCCN1C(N)=O
InChIInChI=1S/C14H29N3O/c1-14(2,3)9-11(10-16-4)12-7-5-6-8-17(12)13(15)18/h11-12,16H,5-10H2,1-4H3,(H2,15,18)/t11-,12?/m0/s1
InChIKeyIOULMPOEIKCMLS-PXYINDEMSA-N
MW255.41 g/mol
LogP2.19
Rot. Bonds4

About 2-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide

2-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide (PubChem CID 69468054) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
PubChem CID69468054
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC(C)(C)C)C1CCCCN1C(N)=O
InChIInChI=1S/C14H29N3O/c1-14(2,3)9-11(10-16-4)12-7-5-6-8-17(12)13(15)18/h11-12,16H,5-10H2,1-4H3,(H2,15,18)/t11-,12?/m0/s1
InChIKeyIOULMPOEIKCMLS-PXYINDEMSA-N
XLogP2.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 69466597
2-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
CID 143215220
2-[(1S)-1-(1-fluorocyclohexyl)-1-iodo-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 69471815
2-[(2S,3R)-1-cyclohexyl-3-(methylamino)butan-2-yl]piperidine-1-carboxamide
CID 69467348
2-cyclopropyl-N,4,4-trimethylpentan-1-amine
CID 83827155
4,4-dimethyl-2-[[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid
CID 107474506
3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 63249773
(2S)-2-(dimethoxymethyl)pyrrolidine-1-carboxamide
CID 90936720
methyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate
CID 107471714
1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129371121
(2S)-1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidine-2-carboxylic acid
CID 107472356
methyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
CID 83881158

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 2-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide (CID 69468054) is 2-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 2-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 2-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide is CNC[C@H](CC(C)(C)C)C1CCCCN1C(N)=O.
What is the InChIKey of 2-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
The InChIKey is IOULMPOEIKCMLS-PXYINDEMSA-N. The full InChI is InChI=1S/C14H29N3O/c1-14(2,3)9-11(10-16-4)12-7-5-6-8-17(12)13(15)18/h11-12,16H,5-10H2,1-4H3,(H2,15,18)/t11-,12?/m0/s1.
What are the key properties of 2-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
2-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 69468054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).