1-[2-(4-aminopiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone

C18H25N3O2 — CID 119374745

IUPAC1-[2-(4-aminopiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone
SMILESNC1CCN(C(=O)C2CCCN2C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C18H25N3O2/c19-15-8-11-20(12-9-15)18(23)16-7-4-10-21(16)17(22)13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13,19H2
InChIKeyFAVZOPPBAFILBS-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.17
Rot. Bonds3

About 1-[2-(4-aminopiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone

1-[2-(4-aminopiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone (PubChem CID 119374745) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[2-(4-aminopiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-(4-aminopiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone
PubChem CID119374745
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[2-(4-aminopiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone
SMILESNC1CCN(C(=O)C2CCCN2C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C18H25N3O2/c19-15-8-11-20(12-9-15)18(23)16-7-4-10-21(16)17(22)13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13,19H2
InChIKeyFAVZOPPBAFILBS-UHFFFAOYSA-N
XLogP1.17
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(aminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
CID 119423409
2-phenyl-1-[2-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 47721714
1-[2-[4-(3-aminopropoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 119663026
1-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 110023505
1-[(2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone
CID 124888269
1-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 119396751
1-[2-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 60585036
(2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 89035815
4-phenyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 3081017
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 667614
2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 94248358

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[2-(4-aminopiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone (CID 119374745) is 1-[2-(4-aminopiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[2-(4-aminopiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[2-(4-aminopiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone is NC1CCN(C(=O)C2CCCN2C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-[2-(4-aminopiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone?
The InChIKey is FAVZOPPBAFILBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c19-15-8-11-20(12-9-15)18(23)16-7-4-10-21(16)17(22)13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13,19H2.
What are the key properties of 1-[2-(4-aminopiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone?
1-[2-(4-aminopiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone has a molecular weight of 315.42 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 119374745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).