N-(cyclohexen-1-ylmethyl)-4-pyridin-3-yloxypiperidine-1-carboxamide

C18H25N3O2 — CID 122562954

IUPACN-(cyclohexen-1-ylmethyl)-4-pyridin-3-yloxypiperidine-1-carboxamide
SMILESO=C(NCC1=CCCCC1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C18H25N3O2/c22-18(20-13-15-5-2-1-3-6-15)21-11-8-16(9-12-21)23-17-7-4-10-19-14-17/h4-5,7,10,14,16H,1-3,6,8-9,11-13H2,(H,20,22)
InChIKeyZBZNWCDOAUMHOM-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.13
Rot. Bonds4

About N-(cyclohexen-1-ylmethyl)-4-pyridin-3-yloxypiperidine-1-carboxamide

N-(cyclohexen-1-ylmethyl)-4-pyridin-3-yloxypiperidine-1-carboxamide (PubChem CID 122562954) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-4-pyridin-3-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-4-pyridin-3-yloxypiperidine-1-carboxamide
PubChem CID122562954
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(cyclohexen-1-ylmethyl)-4-pyridin-3-yloxypiperidine-1-carboxamide
SMILESO=C(NCC1=CCCCC1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C18H25N3O2/c22-18(20-13-15-5-2-1-3-6-15)21-11-8-16(9-12-21)23-17-7-4-10-19-14-17/h4-5,7,10,14,16H,1-3,6,8-9,11-13H2,(H,20,22)
InChIKeyZBZNWCDOAUMHOM-UHFFFAOYSA-N
XLogP3.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130
2-(cyclohexen-1-yl)-1-[(3S)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418968
N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566112
(2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 97198876
(3S)-N-[(5-cyano-2-fluorophenyl)methyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97078495
3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42098917
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
[(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56643265
(3S)-3-pyridin-3-yloxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 97012552
3-cycloheptyloxypyridine
CID 112558615
N-(cyclohexylmethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide
CID 119070282

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-4-pyridin-3-yloxypiperidine-1-carboxamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-4-pyridin-3-yloxypiperidine-1-carboxamide (CID 122562954) is N-(cyclohexen-1-ylmethyl)-4-pyridin-3-yloxypiperidine-1-carboxamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-4-pyridin-3-yloxypiperidine-1-carboxamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-4-pyridin-3-yloxypiperidine-1-carboxamide is O=C(NCC1=CCCCC1)N1CCC(Oc2cccnc2)CC1.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-4-pyridin-3-yloxypiperidine-1-carboxamide?
The InChIKey is ZBZNWCDOAUMHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-18(20-13-15-5-2-1-3-6-15)21-11-8-16(9-12-21)23-17-7-4-10-19-14-17/h4-5,7,10,14,16H,1-3,6,8-9,11-13H2,(H,20,22).
What are the key properties of N-(cyclohexen-1-ylmethyl)-4-pyridin-3-yloxypiperidine-1-carboxamide?
N-(cyclohexen-1-ylmethyl)-4-pyridin-3-yloxypiperidine-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-4-pyridin-3-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 122562954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).