1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide

C17H27N3O2 — CID 118768994

IUPAC1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCn1cccc1)C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C17H27N3O2/c21-17(18-7-12-19-8-1-2-9-19)15-3-10-20(11-4-15)16-5-13-22-14-6-16/h1-2,8-9,15-16H,3-7,10-14H2,(H,18,21)
InChIKeyLAPJHWQJSBRCPE-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.50
Rot. Bonds5

About 1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide

1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide (PubChem CID 118768994) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
PubChem CID118768994
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCn1cccc1)C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C17H27N3O2/c21-17(18-7-12-19-8-1-2-9-19)15-3-10-20(11-4-15)16-5-13-22-14-6-16/h1-2,8-9,15-16H,3-7,10-14H2,(H,18,21)
InChIKeyLAPJHWQJSBRCPE-UHFFFAOYSA-N
XLogP1.50
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-4-yl)-N-(3-pyrrol-1-ylpropyl)piperidine-4-carboxamide
CID 119062469
1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide
CID 118760765
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 118770462
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 74233287
1-(oxan-4-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
CID 119066688
N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide
CID 51077897
(1R)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 100679957
1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45209776
1-[1-[(3S)-3-hydroxybutyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25295127
1-(2-aminoethyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 115161822
N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid
CID 154909808
N-(2-pyrrol-1-ylethyl)azocane-1-carboxamide
CID 122566086

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide (CID 118768994) is 1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide is O=C(NCCn1cccc1)C1CCN(C2CCOCC2)CC1.
What is the InChIKey of 1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide?
The InChIKey is LAPJHWQJSBRCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c21-17(18-7-12-19-8-1-2-9-19)15-3-10-20(11-4-15)16-5-13-22-14-6-16/h1-2,8-9,15-16H,3-7,10-14H2,(H,18,21).
What are the key properties of 1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide?
1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 118768994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).