5-butyl-2-(piperidine-1-carbonyl)phenanthridin-6-one

C23H26N2O2 — CID 90682883

IUPAC5-butyl-2-(piperidine-1-carbonyl)phenanthridin-6-one
SMILESCCCCn1c(=O)c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H26N2O2/c1-2-3-15-25-21-12-11-17(22(26)24-13-7-4-8-14-24)16-20(21)18-9-5-6-10-19(18)23(25)27/h5-6,9-12,16H,2-4,7-8,13-15H2,1H3
InChIKeyDHSMNHWMUHAQNA-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.58
Rot. Bonds4

About 5-butyl-2-(piperidine-1-carbonyl)phenanthridin-6-one

5-butyl-2-(piperidine-1-carbonyl)phenanthridin-6-one (PubChem CID 90682883) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 5-butyl-2-(piperidine-1-carbonyl)phenanthridin-6-one.

Molecular Properties

Compound Name5-butyl-2-(piperidine-1-carbonyl)phenanthridin-6-one
PubChem CID90682883
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name5-butyl-2-(piperidine-1-carbonyl)phenanthridin-6-one
SMILESCCCCn1c(=O)c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H26N2O2/c1-2-3-15-25-21-12-11-17(22(26)24-13-7-4-8-14-24)16-20(21)18-9-5-6-10-19(18)23(25)27/h5-6,9-12,16H,2-4,7-8,13-15H2,1H3
InChIKeyDHSMNHWMUHAQNA-UHFFFAOYSA-N
XLogP4.58
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-butyl-N,N-bis(2-hydroxyethyl)-6-oxophenanthridine-2-carboxamide
CID 90682824
1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone
CID 73348033
(9-butylcarbazol-3-yl)-(1-hydroxycyclohexyl)methanone
CID 19982331
(9-pentylpyrido[3,4-b]indol-3-yl)-piperidin-1-ylmethanone
CID 56651698
(9-butyl-5,6,7,8-tetrahydrocarbazol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 143849927
N-tert-butyl-2-[4-(9-pentylcarbazole-3-carbonyl)piperazin-1-yl]acetamide
CID 130297023
7-(4-methylpiperazine-1-carbonyl)-3-pentyl-1H-quinazoline-2,4-dione
CID 15992912
1,4-bis(9-butylcarbazol-3-yl)-2,3-dihydroxybutane-1,4-dione
CID 19982347
7-(azepane-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 27659116
1-(2,4-dioxo-3-pentyl-1H-quinazoline-7-carbonyl)-4-piperidin-1-ylpiperidine-4-carboxamide
CID 15992919
(9-pentylcarbazol-3-yl)-phenylmethanone
CID 56651356
1,3-dibutyl-2-methylindole-5-carboxylic acid
CID 83944299

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(piperidine-1-carbonyl)phenanthridin-6-one?
The IUPAC name of 5-butyl-2-(piperidine-1-carbonyl)phenanthridin-6-one (CID 90682883) is 5-butyl-2-(piperidine-1-carbonyl)phenanthridin-6-one.
What is the SMILES notation for 5-butyl-2-(piperidine-1-carbonyl)phenanthridin-6-one?
The canonical SMILES for 5-butyl-2-(piperidine-1-carbonyl)phenanthridin-6-one is CCCCn1c(=O)c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21.
What is the InChIKey of 5-butyl-2-(piperidine-1-carbonyl)phenanthridin-6-one?
The InChIKey is DHSMNHWMUHAQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-2-3-15-25-21-12-11-17(22(26)24-13-7-4-8-14-24)16-20(21)18-9-5-6-10-19(18)23(25)27/h5-6,9-12,16H,2-4,7-8,13-15H2,1H3.
What are the key properties of 5-butyl-2-(piperidine-1-carbonyl)phenanthridin-6-one?
5-butyl-2-(piperidine-1-carbonyl)phenanthridin-6-one has a molecular weight of 362.47 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(piperidine-1-carbonyl)phenanthridin-6-one is sourced from PubChem (CID 90682883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).