N-(1-cyclopropylpiperidin-4-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide

C23H34N4O2 — CID 128926637

IUPACN-(1-cyclopropylpiperidin-4-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
SMILESCc1cccc(C(=O)N2CCCN(CC(=O)NC3CCN(C4CC4)CC3)CC2)c1
InChIInChI=1S/C23H34N4O2/c1-18-4-2-5-19(16-18)23(29)27-11-3-10-25(14-15-27)17-22(28)24-20-8-12-26(13-9-20)21-6-7-21/h2,4-5,16,20-21H,3,6-15,17H2,1H3,(H,24,28)
InChIKeyIDUHMNRHRWZMPG-UHFFFAOYSA-N
MW398.55 g/mol
LogP1.89
Rot. Bonds5

About N-(1-cyclopropylpiperidin-4-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide

N-(1-cyclopropylpiperidin-4-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 128926637) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
PubChem CID128926637
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
SMILESCc1cccc(C(=O)N2CCCN(CC(=O)NC3CCN(C4CC4)CC3)CC2)c1
InChIInChI=1S/C23H34N4O2/c1-18-4-2-5-19(16-18)23(29)27-11-3-10-25(14-15-27)17-22(28)24-20-8-12-26(13-9-20)21-6-7-21/h2,4-5,16,20-21H,3,6-15,17H2,1H3,(H,24,28)
InChIKeyIDUHMNRHRWZMPG-UHFFFAOYSA-N
XLogP1.89
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 37105606
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide
CID 37106980
2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566071
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 134045309
N-(2-acetamidoethyl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 37110740
N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 38217781
3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 30828376
N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42395399
N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35227706
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 78896065
N-heptan-2-yl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 134045311
N-cyclopropyl-2-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide
CID 35373224

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide (CID 128926637) is N-(1-cyclopropylpiperidin-4-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide is Cc1cccc(C(=O)N2CCCN(CC(=O)NC3CCN(C4CC4)CC3)CC2)c1.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is IDUHMNRHRWZMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-18-4-2-5-19(16-18)23(29)27-11-3-10-25(14-15-27)17-22(28)24-20-8-12-26(13-9-20)21-6-7-21/h2,4-5,16,20-21H,3,6-15,17H2,1H3,(H,24,28).
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide?
N-(1-cyclopropylpiperidin-4-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 398.55 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 128926637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).