1-(oxan-4-yl)-N-(3-pyrrol-1-ylpropyl)piperidine-4-carboxamide

C18H29N3O2 — CID 119062469

IUPAC1-(oxan-4-yl)-N-(3-pyrrol-1-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCn1cccc1)C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H29N3O2/c22-18(19-8-3-11-20-9-1-2-10-20)16-4-12-21(13-5-16)17-6-14-23-15-7-17/h1-2,9-10,16-17H,3-8,11-15H2,(H,19,22)
InChIKeySSKSAQCVEHAULX-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.89
Rot. Bonds6

About 1-(oxan-4-yl)-N-(3-pyrrol-1-ylpropyl)piperidine-4-carboxamide

1-(oxan-4-yl)-N-(3-pyrrol-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 119062469) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-(3-pyrrol-1-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-(3-pyrrol-1-ylpropyl)piperidine-4-carboxamide
PubChem CID119062469
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-(oxan-4-yl)-N-(3-pyrrol-1-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCn1cccc1)C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H29N3O2/c22-18(19-8-3-11-20-9-1-2-10-20)16-4-12-21(13-5-16)17-6-14-23-15-7-17/h1-2,9-10,16-17H,3-8,11-15H2,(H,19,22)
InChIKeySSKSAQCVEHAULX-UHFFFAOYSA-N
XLogP1.89
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
CID 118768994
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
4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 60846570
N-(4-bromobutyl)oxane-4-carboxamide
CID 106845809
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-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 28767990
1-(1-methylbenzimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 16675580
(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

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-(3-pyrrol-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(oxan-4-yl)-N-(3-pyrrol-1-ylpropyl)piperidine-4-carboxamide (CID 119062469) is 1-(oxan-4-yl)-N-(3-pyrrol-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(oxan-4-yl)-N-(3-pyrrol-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(oxan-4-yl)-N-(3-pyrrol-1-ylpropyl)piperidine-4-carboxamide is O=C(NCCCn1cccc1)C1CCN(C2CCOCC2)CC1.
What is the InChIKey of 1-(oxan-4-yl)-N-(3-pyrrol-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is SSKSAQCVEHAULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c22-18(19-8-3-11-20-9-1-2-10-20)16-4-12-21(13-5-16)17-6-14-23-15-7-17/h1-2,9-10,16-17H,3-8,11-15H2,(H,19,22).
What are the key properties of 1-(oxan-4-yl)-N-(3-pyrrol-1-ylpropyl)piperidine-4-carboxamide?
1-(oxan-4-yl)-N-(3-pyrrol-1-ylpropyl)piperidine-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.89, 6 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-(3-pyrrol-1-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 119062469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).