N-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide

C17H31N3O2 — CID 119720622

IUPACN-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)CC2CCCN2)CC1
InChIInChI=1S/C17H31N3O2/c1-2-3-4-9-19-17(22)14-7-11-20(12-8-14)16(21)13-15-6-5-10-18-15/h14-15,18H,2-13H2,1H3,(H,19,22)
InChIKeyJLDVOJUSMYBRLY-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.67
Rot. Bonds7

About N-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide

N-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide (PubChem CID 119720622) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
PubChem CID119720622
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)CC2CCCN2)CC1
InChIInChI=1S/C17H31N3O2/c1-2-3-4-9-19-17(22)14-7-11-20(12-8-14)16(21)13-15-6-5-10-18-15/h14-15,18H,2-13H2,1H3,(H,19,22)
InChIKeyJLDVOJUSMYBRLY-UHFFFAOYSA-N
XLogP1.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.67
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-pentyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
CID 119936671
N-butyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
CID 119936798
N-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 61163792
N-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
N-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
CID 119936002
N-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
CID 119692936
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62205259
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide
CID 111536677
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide
CID 119732751

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide (CID 119720622) is N-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)CC2CCCN2)CC1.
What is the InChIKey of N-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide?
The InChIKey is JLDVOJUSMYBRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-2-3-4-9-19-17(22)14-7-11-20(12-8-14)16(21)13-15-6-5-10-18-15/h14-15,18H,2-13H2,1H3,(H,19,22).
What are the key properties of N-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide?
N-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 119720622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).