1-(4-pyridin-4-ylpiperidin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one

C25H29N3O — CID 46362697

IUPAC1-(4-pyridin-4-ylpiperidin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
SMILESO=C(CCn1c2c(c3ccccc31)CCCC2)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C25H29N3O/c29-25(27-16-11-20(12-17-27)19-9-14-26-15-10-19)13-18-28-23-7-3-1-5-21(23)22-6-2-4-8-24(22)28/h1,3,5,7,9-10,14-15,20H,2,4,6,8,11-13,16-18H2
InChIKeyBJICGZJXHBWBTL-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.71
Rot. Bonds4

About 1-(4-pyridin-4-ylpiperidin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one

1-(4-pyridin-4-ylpiperidin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one (PubChem CID 46362697) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 1-(4-pyridin-4-ylpiperidin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-pyridin-4-ylpiperidin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
PubChem CID46362697
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name1-(4-pyridin-4-ylpiperidin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
SMILESO=C(CCn1c2c(c3ccccc31)CCCC2)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C25H29N3O/c29-25(27-16-11-20(12-17-27)19-9-14-26-15-10-19)13-18-28-23-7-3-1-5-21(23)22-6-2-4-8-24(22)28/h1,3,5,7,9-10,14-15,20H,2,4,6,8,11-13,16-18H2
InChIKeyBJICGZJXHBWBTL-UHFFFAOYSA-N
XLogP4.71
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(pyridin-4-ylmethylideneamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
CID 742363
2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 70783175
2-(benzotriazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 46958886
2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 22585642
4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one
CID 135113601
3-benzylsulfanyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
CID 91839545
4-phenylmethoxy-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one
CID 91772094
(E)-but-2-enedioic acid;2-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)-N,N-dimethylethanamine
CID 6444790
1-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]quinazoline-2,4-dione
CID 24670313
3-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)propanenitrile
CID 125494385
3-(17-azatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)propanenitrile
CID 125494435
2-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]phthalazin-1-one
CID 16674895

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-4-ylpiperidin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one?
The IUPAC name of 1-(4-pyridin-4-ylpiperidin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one (CID 46362697) is 1-(4-pyridin-4-ylpiperidin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one.
What is the SMILES notation for 1-(4-pyridin-4-ylpiperidin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one?
The canonical SMILES for 1-(4-pyridin-4-ylpiperidin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one is O=C(CCn1c2c(c3ccccc31)CCCC2)N1CCC(c2ccncc2)CC1.
What is the InChIKey of 1-(4-pyridin-4-ylpiperidin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one?
The InChIKey is BJICGZJXHBWBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c29-25(27-16-11-20(12-17-27)19-9-14-26-15-10-19)13-18-28-23-7-3-1-5-21(23)22-6-2-4-8-24(22)28/h1,3,5,7,9-10,14-15,20H,2,4,6,8,11-13,16-18H2.
What are the key properties of 1-(4-pyridin-4-ylpiperidin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one?
1-(4-pyridin-4-ylpiperidin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one has a molecular weight of 387.53 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-4-ylpiperidin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one is sourced from PubChem (CID 46362697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).