(3R)-1-(oxan-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide

C19H29N3O2 — CID 95827419

IUPAC(3R)-1-(oxan-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
SMILESNC(=O)[C@]1(CCCc2cccnc2)CCCN(C2CCOCC2)C1
InChIInChI=1S/C19H29N3O2/c20-18(23)19(8-1-4-16-5-2-10-21-14-16)9-3-11-22(15-19)17-6-12-24-13-7-17/h2,5,10,14,17H,1,3-4,6-9,11-13,15H2,(H2,20,23)/t19-/m1/s1
InChIKeyPTRYQLLSPIZMHF-LJQANCHMSA-N
MW331.46 g/mol
LogP2.15
Rot. Bonds6

About (3R)-1-(oxan-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide

(3R)-1-(oxan-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide (PubChem CID 95827419) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (3R)-1-(oxan-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(oxan-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
PubChem CID95827419
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(3R)-1-(oxan-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
SMILESNC(=O)[C@]1(CCCc2cccnc2)CCCN(C2CCOCC2)C1
InChIInChI=1S/C19H29N3O2/c20-18(23)19(8-1-4-16-5-2-10-21-14-16)9-3-11-22(15-19)17-6-12-24-13-7-17/h2,5,10,14,17H,1,3-4,6-9,11-13,15H2,(H2,20,23)/t19-/m1/s1
InChIKeyPTRYQLLSPIZMHF-LJQANCHMSA-N
XLogP2.15
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
CID 110258311
N,N,1-trimethyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
CID 110257993
(3S)-1-propan-2-yl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxylic acid
CID 95804763
1-[2-(oxan-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-3-ylethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746383
1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 98776791
10-(oxan-4-yl)-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;tris(2,2,2-trifluoroacetic acid)
CID 118747233
[1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 45171513
4-(2-pyridin-3-ylethyl)oxane-4-carboxylic acid
CID 79425505
2-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 71298917
(3R)-3-(3-pyrazin-2-ylpropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 125018214
(3aR,6aR)-2-(oxan-4-yl)-5-(2-pyridin-3-ylacetyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72896725
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 45215267

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(oxan-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(oxan-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide (CID 95827419) is (3R)-1-(oxan-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(oxan-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(oxan-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide is NC(=O)[C@]1(CCCc2cccnc2)CCCN(C2CCOCC2)C1.
What is the InChIKey of (3R)-1-(oxan-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide?
The InChIKey is PTRYQLLSPIZMHF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H29N3O2/c20-18(23)19(8-1-4-16-5-2-10-21-14-16)9-3-11-22(15-19)17-6-12-24-13-7-17/h2,5,10,14,17H,1,3-4,6-9,11-13,15H2,(H2,20,23)/t19-/m1/s1.
What are the key properties of (3R)-1-(oxan-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide?
(3R)-1-(oxan-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(oxan-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 95827419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).