2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide

C13H25N3O2 — CID 106361265

IUPAC2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide
SMILESO=C(CN1CCCNCC1)NC1CCCC1CO
InChIInChI=1S/C13H25N3O2/c17-10-11-3-1-4-12(11)15-13(18)9-16-7-2-5-14-6-8-16/h11-12,14,17H,1-10H2,(H,15,18)
InChIKeyDMWLOWLHDPBRPP-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.44
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide

2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide (PubChem CID 106361265) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide
PubChem CID106361265
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide
SMILESO=C(CN1CCCNCC1)NC1CCCC1CO
InChIInChI=1S/C13H25N3O2/c17-10-11-3-1-4-12(11)15-13(18)9-16-7-2-5-14-6-8-16/h11-12,14,17H,1-10H2,(H,15,18)
InChIKeyDMWLOWLHDPBRPP-UHFFFAOYSA-N
XLogP-0.44
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-2-piperazin-1-ylacetamide
CID 107221527
2-(1,4-diazepan-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 62839359
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63043303
N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide
CID 28881157
N-[2-(hydroxymethyl)cyclopentyl]-2-piperidin-3-ylacetamide
CID 114178697
N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162505
2-(1,4-diazepan-1-yl)acetohydrazide
CID 63577135
N-(cyclopentylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162551
N-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide
CID 62839148
2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide
CID 62838906
N-[2-(hydroxymethyl)cyclopentyl]-3-piperidin-4-ylpropanamide
CID 103876533
N-(3-ethyl-2-methylcyclopentyl)-2-piperazin-1-ylacetamide
CID 64921967

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide (CID 106361265) is 2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide is O=C(CN1CCCNCC1)NC1CCCC1CO.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide?
The InChIKey is DMWLOWLHDPBRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c17-10-11-3-1-4-12(11)15-13(18)9-16-7-2-5-14-6-8-16/h11-12,14,17H,1-10H2,(H,15,18).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide?
2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide has a molecular weight of 255.36 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide is sourced from PubChem (CID 106361265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).