3-(1,3-dioxolan-2-yl)-N-pentylpiperidine-1-carboxamide

C14H26N2O3 — CID 56505796

IUPAC3-(1,3-dioxolan-2-yl)-N-pentylpiperidine-1-carboxamide
SMILESCCCCCNC(=O)N1CCCC(C2OCCO2)C1
InChIInChI=1S/C14H26N2O3/c1-2-3-4-7-15-14(17)16-8-5-6-12(11-16)13-18-9-10-19-13/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyLAJSEUDDHIIJQD-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.97
Rot. Bonds5

About 3-(1,3-dioxolan-2-yl)-N-pentylpiperidine-1-carboxamide

3-(1,3-dioxolan-2-yl)-N-pentylpiperidine-1-carboxamide (PubChem CID 56505796) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-N-pentylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-N-pentylpiperidine-1-carboxamide
PubChem CID56505796
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-(1,3-dioxolan-2-yl)-N-pentylpiperidine-1-carboxamide
SMILESCCCCCNC(=O)N1CCCC(C2OCCO2)C1
InChIInChI=1S/C14H26N2O3/c1-2-3-4-7-15-14(17)16-8-5-6-12(11-16)13-18-9-10-19-13/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyLAJSEUDDHIIJQD-UHFFFAOYSA-N
XLogP1.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(1,3-dioxolan-2-yl)-N-propylpiperidine-1-carboxamide
CID 95270427
3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide
CID 56553598
(3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide
CID 95270738
3-(1,3-dioxolan-2-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 56505795
N-butyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide
CID 54886147
(3S)-1-N-decyl-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 70998444
3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide
CID 63766173
N-propyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide
CID 54886149
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid
CID 106813711
4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
CID 110894057

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)-N-pentylpiperidine-1-carboxamide?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-N-pentylpiperidine-1-carboxamide (CID 56505796) is 3-(1,3-dioxolan-2-yl)-N-pentylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-N-pentylpiperidine-1-carboxamide?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-N-pentylpiperidine-1-carboxamide is CCCCCNC(=O)N1CCCC(C2OCCO2)C1.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-N-pentylpiperidine-1-carboxamide?
The InChIKey is LAJSEUDDHIIJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-2-3-4-7-15-14(17)16-8-5-6-12(11-16)13-18-9-10-19-13/h12-13H,2-11H2,1H3,(H,15,17).
What are the key properties of 3-(1,3-dioxolan-2-yl)-N-pentylpiperidine-1-carboxamide?
3-(1,3-dioxolan-2-yl)-N-pentylpiperidine-1-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-N-pentylpiperidine-1-carboxamide is sourced from PubChem (CID 56505796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).