N-[3-(azepan-1-yl)-3-oxopropyl]-2-pyrrolidin-2-ylacetamide

C15H27N3O2 — CID 119761927

IUPACN-[3-(azepan-1-yl)-3-oxopropyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCCC(=O)N1CCCCCC1
InChIInChI=1S/C15H27N3O2/c19-14(12-13-6-5-8-16-13)17-9-7-15(20)18-10-3-1-2-4-11-18/h13,16H,1-12H2,(H,17,19)
InChIKeyBSTOOVUGMZCMKE-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.04
Rot. Bonds5

About N-[3-(azepan-1-yl)-3-oxopropyl]-2-pyrrolidin-2-ylacetamide

N-[3-(azepan-1-yl)-3-oxopropyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119761927) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)-3-oxopropyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)-3-oxopropyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119761927
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[3-(azepan-1-yl)-3-oxopropyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCCC(=O)N1CCCCCC1
InChIInChI=1S/C15H27N3O2/c19-14(12-13-6-5-8-16-13)17-9-7-15(20)18-10-3-1-2-4-11-18/h13,16H,1-12H2,(H,17,19)
InChIKeyBSTOOVUGMZCMKE-UHFFFAOYSA-N
XLogP1.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-pyrrolidin-2-ylacetamide
CID 61366260
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
N-(2-piperidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide
CID 54967426
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835586
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 79610570
N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119731272
N-(2-cyclohexylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119725744
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627230
N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119737602
N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
CID 61366460
N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-2-carboxamide
CID 61249088

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]-2-pyrrolidin-2-ylacetamide (CID 119761927) is N-[3-(azepan-1-yl)-3-oxopropyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[3-(azepan-1-yl)-3-oxopropyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[3-(azepan-1-yl)-3-oxopropyl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)NCCC(=O)N1CCCCCC1.
What is the InChIKey of N-[3-(azepan-1-yl)-3-oxopropyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is BSTOOVUGMZCMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c19-14(12-13-6-5-8-16-13)17-9-7-15(20)18-10-3-1-2-4-11-18/h13,16H,1-12H2,(H,17,19).
What are the key properties of N-[3-(azepan-1-yl)-3-oxopropyl]-2-pyrrolidin-2-ylacetamide?
N-[3-(azepan-1-yl)-3-oxopropyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 281.40 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)-3-oxopropyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119761927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).