N-cyclopentyl-4-oxo-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butanamide

C18H27N5O2 — CID 46987810

IUPACN-cyclopentyl-4-oxo-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butanamide
SMILESO=C(CCC(=O)N1CCCN(c2ncccn2)CC1)NC1CCCC1
InChIInChI=1S/C18H27N5O2/c24-16(21-15-5-1-2-6-15)7-8-17(25)22-11-4-12-23(14-13-22)18-19-9-3-10-20-18/h3,9-10,15H,1-2,4-8,11-14H2,(H,21,24)
InChIKeyGPSHLDAVAPPWKL-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.35
Rot. Bonds5

About N-cyclopentyl-4-oxo-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butanamide

N-cyclopentyl-4-oxo-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butanamide (PubChem CID 46987810) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-cyclopentyl-4-oxo-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butanamide.

Molecular Properties

Compound NameN-cyclopentyl-4-oxo-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butanamide
PubChem CID46987810
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-cyclopentyl-4-oxo-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butanamide
SMILESO=C(CCC(=O)N1CCCN(c2ncccn2)CC1)NC1CCCC1
InChIInChI=1S/C18H27N5O2/c24-16(21-15-5-1-2-6-15)7-8-17(25)22-11-4-12-23(14-13-22)18-19-9-3-10-20-18/h3,9-10,15H,1-2,4-8,11-14H2,(H,21,24)
InChIKeyGPSHLDAVAPPWKL-UHFFFAOYSA-N
XLogP1.35
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108950957
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
3-(1-methylpiperidin-3-yl)-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 72852191
3-[(3R)-1-methylpiperidin-3-yl]-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 97189893
N-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide
CID 46989818
N-cyclopropyl-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 47281905
N-(cyclopentylcarbamoyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 31698296
methyl 4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 110756099
2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671657
N-cyclopropyl-4-[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]butanamide
CID 111205704
N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146126

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-oxo-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butanamide?
The IUPAC name of N-cyclopentyl-4-oxo-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butanamide (CID 46987810) is N-cyclopentyl-4-oxo-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butanamide.
What is the SMILES notation for N-cyclopentyl-4-oxo-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butanamide?
The canonical SMILES for N-cyclopentyl-4-oxo-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butanamide is O=C(CCC(=O)N1CCCN(c2ncccn2)CC1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-4-oxo-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butanamide?
The InChIKey is GPSHLDAVAPPWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c24-16(21-15-5-1-2-6-15)7-8-17(25)22-11-4-12-23(14-13-22)18-19-9-3-10-20-18/h3,9-10,15H,1-2,4-8,11-14H2,(H,21,24).
What are the key properties of N-cyclopentyl-4-oxo-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butanamide?
N-cyclopentyl-4-oxo-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butanamide has a molecular weight of 345.45 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-oxo-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butanamide is sourced from PubChem (CID 46987810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).