N-cyclopentyl-5-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide

C27H38N4O4 — CID 3237116

IUPACN-cyclopentyl-5-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
SMILESCC1CC(C)CN(C(=O)Cn2c(=O)n(CCCCC(=O)NC3CCCC3)c(=O)c3ccccc32)C1
InChIInChI=1S/C27H38N4O4/c1-19-15-20(2)17-29(16-19)25(33)18-31-23-12-6-5-11-22(23)26(34)30(27(31)35)14-8-7-13-24(32)28-21-9-3-4-10-21/h5-6,11-12,19-21H,3-4,7-10,13-18H2,1-2H3,(H,28,32)
InChIKeyACFIZICDXVPATH-UHFFFAOYSA-N
MW482.63 g/mol
LogP2.90
Rot. Bonds8

About N-cyclopentyl-5-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide

N-cyclopentyl-5-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide (PubChem CID 3237116) has the molecular formula C27H38N4O4 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-cyclopentyl-5-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
PubChem CID3237116
Molecular FormulaC27H38N4O4
Molecular Weight482.63 g/mol
Exact Mass482.29
IUPAC NameN-cyclopentyl-5-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
SMILESCC1CC(C)CN(C(=O)Cn2c(=O)n(CCCCC(=O)NC3CCCC3)c(=O)c3ccccc32)C1
InChIInChI=1S/C27H38N4O4/c1-19-15-20(2)17-29(16-19)25(33)18-31-23-12-6-5-11-22(23)26(34)30(27(31)35)14-8-7-13-24(32)28-21-9-3-4-10-21/h5-6,11-12,19-21H,3-4,7-10,13-18H2,1-2H3,(H,28,32)
InChIKeyACFIZICDXVPATH-UHFFFAOYSA-N
XLogP2.90
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-5-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide with MolForge

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Related Compounds

Ketanserin
CID 3822
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
2-(4-(dimethylamino)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3157451
Glycosmicine
CID 11788
2,3-Dihydro-2-methyl-4(1H)-quinazolinone
CID 14807234
3-[2-(piperidin-1-yl)ethyl]-2-sulfanylquinazolin-4(3H)-one
CID 935390
3-ethylquinazoline-2,4(1H,3H)-dione
CID 747439
3-Methyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 344385
6-Iodo-3-propyl-2,4(1H,3H)-quinazolinedione
CID 22116532
Pelanserin
CID 65435
(3r)-N-[3-(3,4-Dihydroquinolin-1(2h)-Yl)propyl]-3-Methyl-2-Oxo-1,2,3,4-Tetrahydroquinoxaline-5-Carboxamide
CID 60149330
1-[[4-Fluoranyl-3-[(3r)-3-Methyl-4-[2,2,2-Tris(Fluoranyl)ethyl]piperazin-1-Yl]carbonyl-Phenyl]methyl]quinazoline-2,4-Dione
CID 122391207

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide?
The IUPAC name of N-cyclopentyl-5-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide (CID 3237116) is N-cyclopentyl-5-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide.
What is the SMILES notation for N-cyclopentyl-5-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide?
The canonical SMILES for N-cyclopentyl-5-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide is CC1CC(C)CN(C(=O)Cn2c(=O)n(CCCCC(=O)NC3CCCC3)c(=O)c3ccccc32)C1.
What is the InChIKey of N-cyclopentyl-5-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide?
The InChIKey is ACFIZICDXVPATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O4/c1-19-15-20(2)17-29(16-19)25(33)18-31-23-12-6-5-11-22(23)26(34)30(27(31)35)14-8-7-13-24(32)28-21-9-3-4-10-21/h5-6,11-12,19-21H,3-4,7-10,13-18H2,1-2H3,(H,28,32).
What are the key properties of N-cyclopentyl-5-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide?
N-cyclopentyl-5-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide has a molecular weight of 482.63 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide is sourced from PubChem (CID 3237116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).