1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione

C20H26N4O3 — CID 119623359

IUPAC1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C20H26N4O3/c25-18(23-10-7-15(8-11-23)21-13-14-5-6-14)9-12-24-17-4-2-1-3-16(17)19(26)22-20(24)27/h1-4,14-15,21H,5-13H2,(H,22,26,27)
InChIKeyHWJFPBVDRWAOLK-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.07
Rot. Bonds6

About 1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione

1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione (PubChem CID 119623359) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
PubChem CID119623359
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C20H26N4O3/c25-18(23-10-7-15(8-11-23)21-13-14-5-6-14)9-12-24-17-4-2-1-3-16(17)19(26)22-20(24)27/h1-4,14-15,21H,5-13H2,(H,22,26,27)
InChIKeyHWJFPBVDRWAOLK-UHFFFAOYSA-N
XLogP1.07
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione with MolForge

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Related Compounds

1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 41310154
1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 24545134
1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 51274736
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
1-[3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]quinazoline-2,4-dione
CID 31952799
1-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 124589712
1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 25392952
1-[3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 136539345
2-[4-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 166196801
3-(benzimidazol-1-yl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119622650
3-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 119623819
1-[3-[(3S,5R)-3-fluoro-5-hydroxypiperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 167763098

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione?
The IUPAC name of 1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione (CID 119623359) is 1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione is O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione?
The InChIKey is HWJFPBVDRWAOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-18(23-10-7-15(8-11-23)21-13-14-5-6-14)9-12-24-17-4-2-1-3-16(17)19(26)22-20(24)27/h1-4,14-15,21H,5-13H2,(H,22,26,27).
What are the key properties of 1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione?
1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione has a molecular weight of 370.45 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione is sourced from PubChem (CID 119623359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).