N-butyl-1-(piperidine-2-carbonyl)piperidine-3-carboxamide

C16H29N3O2 — CID 119311468

IUPACN-butyl-1-(piperidine-2-carbonyl)piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(C(=O)C2CCCCN2)C1
InChIInChI=1S/C16H29N3O2/c1-2-3-9-18-15(20)13-7-6-11-19(12-13)16(21)14-8-4-5-10-17-14/h13-14,17H,2-12H2,1H3,(H,18,20)
InChIKeyGLFKRLJGUHUZGS-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.28
Rot. Bonds5

About N-butyl-1-(piperidine-2-carbonyl)piperidine-3-carboxamide

N-butyl-1-(piperidine-2-carbonyl)piperidine-3-carboxamide (PubChem CID 119311468) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-butyl-1-(piperidine-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(piperidine-2-carbonyl)piperidine-3-carboxamide
PubChem CID119311468
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-butyl-1-(piperidine-2-carbonyl)piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(C(=O)C2CCCCN2)C1
InChIInChI=1S/C16H29N3O2/c1-2-3-9-18-15(20)13-7-6-11-19(12-13)16(21)14-8-4-5-10-17-14/h13-14,17H,2-12H2,1H3,(H,18,20)
InChIKeyGLFKRLJGUHUZGS-UHFFFAOYSA-N
XLogP1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.28
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-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 61163792
N-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119289763
N-methyl-1-[(2S)-piperidine-2-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119783429
N-(cyclopropylmethyl)-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxamide
CID 119289774
2-[3-(butylcarbamoyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975736
1-(4-hydroxypyrrolidine-2-carbonyl)-N-propylpiperidine-3-carboxamide
CID 119763378
methyl 3-(butylcarbamoyl)piperidine-1-carboxylate
CID 110754259
N-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 53015059
N-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344181
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(piperidine-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-butyl-1-(piperidine-2-carbonyl)piperidine-3-carboxamide (CID 119311468) is N-butyl-1-(piperidine-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-(piperidine-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-(piperidine-2-carbonyl)piperidine-3-carboxamide is CCCCNC(=O)C1CCCN(C(=O)C2CCCCN2)C1.
What is the InChIKey of N-butyl-1-(piperidine-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is GLFKRLJGUHUZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-2-3-9-18-15(20)13-7-6-11-19(12-13)16(21)14-8-4-5-10-17-14/h13-14,17H,2-12H2,1H3,(H,18,20).
What are the key properties of N-butyl-1-(piperidine-2-carbonyl)piperidine-3-carboxamide?
N-butyl-1-(piperidine-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(piperidine-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 119311468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).