N-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide

C16H31N3O2 — CID 62835323

IUPACN-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)C(C)(C)NCC)CC1
InChIInChI=1S/C16H31N3O2/c1-5-7-10-17-14(20)13-8-11-19(12-9-13)15(21)16(3,4)18-6-2/h13,18H,5-12H2,1-4H3,(H,17,20)
InChIKeyLSQVLQNGBPQWTP-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.53
Rot. Bonds7

About N-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide

N-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide (PubChem CID 62835323) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide
PubChem CID62835323
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)C(C)(C)NCC)CC1
InChIInChI=1S/C16H31N3O2/c1-5-7-10-17-14(20)13-8-11-19(12-9-13)15(21)16(3,4)18-6-2/h13,18H,5-12H2,1-4H3,(H,17,20)
InChIKeyLSQVLQNGBPQWTP-UHFFFAOYSA-N
XLogP1.53
TPSA61.44 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 ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 63665688
1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide
CID 79813591
tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate
CID 4268905
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 62833921
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
CID 62836073
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
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864
N-butyl-1-formylpiperidine-4-carboxamide
CID 64992513
N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3283449
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide (CID 62835323) is N-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide is CCCCNC(=O)C1CCN(C(=O)C(C)(C)NCC)CC1.
What is the InChIKey of N-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide?
The InChIKey is LSQVLQNGBPQWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-5-7-10-17-14(20)13-8-11-19(12-9-13)15(21)16(3,4)18-6-2/h13,18H,5-12H2,1-4H3,(H,17,20).
What are the key properties of N-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide?
N-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 62835323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).