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

C14H29N3O — CID 67194151

IUPACN-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC(C)(C)C)NC(=O)N1CCCCC1
InChIInChI=1S/C14H29N3O/c1-14(2,3)10-12(11-15-4)16-13(18)17-8-6-5-7-9-17/h12,15H,5-11H2,1-4H3,(H,16,18)/t12-/m0/s1
InChIKeyAFUCCQVDMKGDKT-LBPRGKRZSA-N
MW255.41 g/mol
LogP2.21
Rot. Bonds4

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

N-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide (PubChem CID 67194151) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
PubChem CID67194151
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC(C)(C)C)NC(=O)N1CCCCC1
InChIInChI=1S/C14H29N3O/c1-14(2,3)10-12(11-15-4)16-13(18)17-8-6-5-7-9-17/h12,15H,5-11H2,1-4H3,(H,16,18)/t12-/m0/s1
InChIKeyAFUCCQVDMKGDKT-LBPRGKRZSA-N
XLogP2.21
TPSA44.37 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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-4-methylpiperazine-1-carboxamide
CID 306772
N-Isopropyl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3234223
1-Piperidinecarboxamide, 3-amino-N,N-dimethyl-
CID 21482877
1-Cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 47038655
3-(dimethylamino)-N-(3,3-dimethylbutyl)piperidine-1-carboxamide
CID 72145167
N-cyclohexyl-4-ethylpiperazine-1-carboxamide
CID 858169
4-amino-N-tert-butylpiperidine-1-carboxamide
CID 28785595
3,3-Dimethyl-1-(piperidin-3-yl)urea
CID 67338659
(S)-1-(Piperidin-3-yl)-3-(propan-2-yl)urea hydrochloride
CID 53256927
3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 112690170
N-butyl-3,5-dimethyl-1-piperidinecarboxamide
CID 2926433
(5R)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234965

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide (CID 67194151) is N-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide is CNC[C@H](CC(C)(C)C)NC(=O)N1CCCCC1.
What is the InChIKey of N-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
The InChIKey is AFUCCQVDMKGDKT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H29N3O/c1-14(2,3)10-12(11-15-4)16-13(18)17-8-6-5-7-9-17/h12,15H,5-11H2,1-4H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
N-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 67194151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).