N-(1-amino-2,4-dimethylpentan-2-yl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide

C17H31N3O2 — CID 119599783

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C17H31N3O2/c1-12(2)9-17(3,11-18)19-15(21)14-5-4-8-20(10-14)16(22)13-6-7-13/h12-14H,4-11,18H2,1-3H3,(H,19,21)
InChIKeyOLVYOGHUCSPDLO-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.51
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide (PubChem CID 119599783) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
PubChem CID119599783
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C17H31N3O2/c1-12(2)9-17(3,11-18)19-15(21)14-5-4-8-20(10-14)16(22)13-6-7-13/h12-14H,4-11,18H2,1-3H3,(H,19,21)
InChIKeyOLVYOGHUCSPDLO-UHFFFAOYSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Diethylpiperidine-3-carboxamide
CID 18793
N-(2-(dimethylamino)ethyl)-2-oxopiperidine-3-carboxamide
CID 3623770
(2S)-aminobutyryl-(S)-nipecotamide
CID 44421594
1-(cyclobutanecarbonyl)-N-methylpiperidine-3-carboxamide
CID 60293754
(3S,6S)-4-(cyclopropanecarbonyl)-3,6-diisobutyl-piperazin-2-one
CID 76325279
N-butyl-2-oxopiperidine-3-carboxamide
CID 4141439
(4-Methylpiperazin-1-yl)(piperidin-3-yl)methanone
CID 2794687
N-propylpiperidine-3-carboxamide
CID 18072274
N-methyl-N-(propan-2-yl)piperidine-3-carboxamide
CID 18073102
N,N-dimethylpiperidine-3-carboxamide
CID 18760276
4-Methyl-1-(piperazin-1-yl)pentan-1-one
CID 20596588
1-(2,2-Dimethylpropanoyl)-N-methyl-3-piperidinecarboxamide
CID 47406835

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide (CID 119599783) is N-(1-amino-2,4-dimethylpentan-2-yl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide is CC(C)CC(C)(CN)NC(=O)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The InChIKey is OLVYOGHUCSPDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-12(2)9-17(3,11-18)19-15(21)14-5-4-8-20(10-14)16(22)13-6-7-13/h12-14H,4-11,18H2,1-3H3,(H,19,21).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 119599783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).