N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide

C16H29N3O2 — CID 119643117

IUPACN-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C16H29N3O2/c1-3-16(17,4-2)11-18-14(20)13-6-5-9-19(10-13)15(21)12-7-8-12/h12-13H,3-11,17H2,1-2H3,(H,18,20)
InChIKeyHXQLGSCTFGMAGG-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.27
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide

N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide (PubChem CID 119643117) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
PubChem CID119643117
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C16H29N3O2/c1-3-16(17,4-2)11-18-14(20)13-6-5-9-19(10-13)15(21)12-7-8-12/h12-13H,3-11,17H2,1-2H3,(H,18,20)
InChIKeyHXQLGSCTFGMAGG-UHFFFAOYSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide
CID 81484905
N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride
CID 119643055
1-(cyclopropanecarbonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47030909
N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
CID 119629275
2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
CID 43170581
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
N-(3-amino-2-methylpropyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide;hydrochloride
CID 119995887
1-(cyclopropanecarbonyl)-N-[(1-propylcyclopropyl)methyl]piperidine-3-carboxamide
CID 71919155
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid
CID 43354917
(3S)-1-(cyclopropanecarbonyl)-N-[[(2S)-1-ethylpiperidin-2-yl]methyl]piperidine-3-carboxamide
CID 124831833
1-(cyclopropanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120654768
(3R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 95623392

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide (CID 119643117) is N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide is CCC(N)(CC)CNC(=O)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The InChIKey is HXQLGSCTFGMAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-3-16(17,4-2)11-18-14(20)13-6-5-9-19(10-13)15(21)12-7-8-12/h12-13H,3-11,17H2,1-2H3,(H,18,20).
What are the key properties of N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 119643117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).