1-[3-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidin-2-one

C19H27N5O3 — CID 137345408

IUPAC1-[3-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidin-2-one
SMILESCc1cnc(C(=O)N2CCCN(C(=O)CCN3CCCCC3=O)CC2)cn1
InChIInChI=1S/C19H27N5O3/c1-15-13-21-16(14-20-15)19(27)24-9-4-8-23(11-12-24)18(26)6-10-22-7-3-2-5-17(22)25/h13-14H,2-12H2,1H3
InChIKeyBVMILLWMKYEWOQ-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.86
Rot. Bonds4

About 1-[3-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidin-2-one

1-[3-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidin-2-one (PubChem CID 137345408) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[3-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidin-2-one
PubChem CID137345408
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name1-[3-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidin-2-one
SMILESCc1cnc(C(=O)N2CCCN(C(=O)CCN3CCCCC3=O)CC2)cn1
InChIInChI=1S/C19H27N5O3/c1-15-13-21-16(14-20-15)19(27)24-9-4-8-23(11-12-24)18(26)6-10-22-7-3-2-5-17(22)25/h13-14H,2-12H2,1H3
InChIKeyBVMILLWMKYEWOQ-UHFFFAOYSA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 30547276
1-[3-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]azepan-2-one
CID 70711022
1-[3-[4-(2-methylprop-2-enyl)piperazin-1-yl]-3-oxopropyl]piperidin-2-one
CID 131906919
1-[3-oxo-3-[4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-1-yl]propyl]azepan-2-one
CID 138807961
cyclopentyl-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone
CID 38390846
(6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495317
1-[3-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]azepan-2-one
CID 90649286
1,4-diazepan-1-yl-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 119415283
N-ethyl-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 7397043
(5-methylpyrazin-2-yl)-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 138378634
1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one
CID 70755856
(5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334455

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidin-2-one?
The IUPAC name of 1-[3-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidin-2-one (CID 137345408) is 1-[3-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidin-2-one.
What is the SMILES notation for 1-[3-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidin-2-one?
The canonical SMILES for 1-[3-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidin-2-one is Cc1cnc(C(=O)N2CCCN(C(=O)CCN3CCCCC3=O)CC2)cn1.
What is the InChIKey of 1-[3-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidin-2-one?
The InChIKey is BVMILLWMKYEWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-15-13-21-16(14-20-15)19(27)24-9-4-8-23(11-12-24)18(26)6-10-22-7-3-2-5-17(22)25/h13-14H,2-12H2,1H3.
What are the key properties of 1-[3-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidin-2-one?
1-[3-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidin-2-one has a molecular weight of 373.46 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidin-2-one is sourced from PubChem (CID 137345408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).