4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide

C16H32N2O — CID 63128354

IUPAC4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCCCCN(C(=O)C1(CC)CCNCC1)C(C)C
InChIInChI=1S/C16H32N2O/c1-5-7-8-13-18(14(3)4)15(19)16(6-2)9-11-17-12-10-16/h14,17H,5-13H2,1-4H3
InChIKeyJVAIVJWHROAOSF-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.19
Rot. Bonds7

About 4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide

4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 63128354) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID63128354
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCCCCN(C(=O)C1(CC)CCNCC1)C(C)C
InChIInChI=1S/C16H32N2O/c1-5-7-8-13-18(14(3)4)15(19)16(6-2)9-11-17-12-10-16/h14,17H,5-13H2,1-4H3
InChIKeyJVAIVJWHROAOSF-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide
CID 63144012
N-(3-hydroxypropyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide
CID 63128773
N-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide
CID 63128126
2-ethyl-N-pentyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 83071421
methyl 2-[(4-ethylpiperidine-4-carbonyl)-propan-2-ylamino]acetate
CID 63128303
N-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide
CID 63128127
3-ethyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63144055
1-(4-ethylpiperidin-4-yl)octan-1-one
CID 116567975
methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate
CID 55164952
4-ethyl-N-(1-hydroxypropan-2-yl)-N-methylpiperidine-4-carboxamide
CID 104551835
4-ethyl-N-(5-hydroxypentyl)-N-methylpiperidine-4-carboxamide
CID 107199194
2-methyl-N-pentyl-2-piperazin-1-yl-N-propan-2-ylpropanamide
CID 80548733

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide (CID 63128354) is 4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide is CCCCCN(C(=O)C1(CC)CCNCC1)C(C)C.
What is the InChIKey of 4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is JVAIVJWHROAOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-7-8-13-18(14(3)4)15(19)16(6-2)9-11-17-12-10-16/h14,17H,5-13H2,1-4H3.
What are the key properties of 4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide?
4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 268.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 63128354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).