1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide

C16H31N3O2 — CID 79813591

IUPAC1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)C(N)(CC)CC)CC1
InChIInChI=1S/C16H31N3O2/c1-4-7-10-18-14(20)13-8-11-19(12-9-13)15(21)16(17,5-2)6-3/h13H,4-12,17H2,1-3H3,(H,18,20)
InChIKeyNFENHXVULAWIQN-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.66
Rot. Bonds7

About 1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide

1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide (PubChem CID 79813591) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide
PubChem CID79813591
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)C(N)(CC)CC)CC1
InChIInChI=1S/C16H31N3O2/c1-4-7-10-18-14(20)13-8-11-19(12-9-13)15(21)16(17,5-2)6-3/h13H,4-12,17H2,1-3H3,(H,18,20)
InChIKeyNFENHXVULAWIQN-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide
CID 62835323
N-butyl-1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 63665688
1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119720581
1-(1-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride
CID 119289710
1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide
CID 60963512
1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride
CID 119723977
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
(E)-4-[4-(butylcarbamoyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 60948862
1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide
CID 61163601
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864
N-butyl-1-formylpiperidine-4-carboxamide
CID 64992513

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide (CID 79813591) is 1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide is CCCCNC(=O)C1CCN(C(=O)C(N)(CC)CC)CC1.
What is the InChIKey of 1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide?
The InChIKey is NFENHXVULAWIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-7-10-18-14(20)13-8-11-19(12-9-13)15(21)16(17,5-2)6-3/h13H,4-12,17H2,1-3H3,(H,18,20).
What are the key properties of 1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide?
1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide is sourced from PubChem (CID 79813591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).