N-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide

C20H29N3O2 — CID 137341250

IUPACN-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide
SMILESO=C(CN1CCCN(C(=O)C2CCCC2)CC1)NCc1ccccc1
InChIInChI=1S/C20H29N3O2/c24-19(21-15-17-7-2-1-3-8-17)16-22-11-6-12-23(14-13-22)20(25)18-9-4-5-10-18/h1-3,7-8,18H,4-6,9-16H2,(H,21,24)
InChIKeyVZQOGCKBNIMJID-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.03
Rot. Bonds5

About N-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide

N-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 137341250) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide
PubChem CID137341250
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide
SMILESO=C(CN1CCCN(C(=O)C2CCCC2)CC1)NCc1ccccc1
InChIInChI=1S/C20H29N3O2/c24-19(21-15-17-7-2-1-3-8-17)16-22-11-6-12-23(14-13-22)20(25)18-9-4-5-10-18/h1-3,7-8,18H,4-6,9-16H2,(H,21,24)
InChIKeyVZQOGCKBNIMJID-UHFFFAOYSA-N
XLogP2.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
CID 55986557
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51094831
2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-benzylacetamide
CID 119840168
N-benzyl-2-[4-[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]-1,4-diazepan-1-yl]acetamide
CID 3831716
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylethanone
CID 110366202
N-benzyl-2-[4-[[2-(trifluoromethyl)phenyl]carbamothioyl]-1,4-diazepan-1-yl]acetamide
CID 74226111
2-(4-benzoylpiperidin-1-yl)-N-benzylacetamide
CID 26037570
4-[2-(benzylamino)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)-1,4-diazepane-1-carboxamide
CID 3800290
methyl 3-[4-[2-(benzylamino)-2-oxoethyl]-1,4-diazepane-1-carbonyl]benzoate
CID 3853869

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide (CID 137341250) is N-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide is O=C(CN1CCCN(C(=O)C2CCCC2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is VZQOGCKBNIMJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(21-15-17-7-2-1-3-8-17)16-22-11-6-12-23(14-13-22)20(25)18-9-4-5-10-18/h1-3,7-8,18H,4-6,9-16H2,(H,21,24).
What are the key properties of N-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide?
N-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 343.47 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 137341250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).