1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one

C14H25N3O2 — CID 119483476

IUPAC1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCCC1C(=O)N1CCC(CN)C1
InChIInChI=1S/C14H25N3O2/c1-2-13(18)17-7-4-3-5-12(17)14(19)16-8-6-11(9-15)10-16/h11-12H,2-10,15H2,1H3
InChIKeyDQOFUGVUXAVWKS-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.58
Rot. Bonds3

About 1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one

1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one (PubChem CID 119483476) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one
PubChem CID119483476
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCCC1C(=O)N1CCC(CN)C1
InChIInChI=1S/C14H25N3O2/c1-2-13(18)17-7-4-3-5-12(17)14(19)16-8-6-11(9-15)10-16/h11-12H,2-10,15H2,1H3
InChIKeyDQOFUGVUXAVWKS-UHFFFAOYSA-N
XLogP0.58
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)piperidin-1-yl]propan-1-one
CID 71924100
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 62067909
1-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]piperidin-1-yl]propan-1-one
CID 120655551
1-[2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 42702614
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
CID 130577977
1-propanoylpiperidine-2-carboxamide
CID 60717244
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(furan-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119484214
[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(aminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119486324
1-[2-(6-azaspiro[3.4]octane-6-carbonyl)piperidin-1-yl]propan-1-one
CID 102555137
1-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 119410683
1-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one
CID 119538669

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one (CID 119483476) is 1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCCCC1C(=O)N1CCC(CN)C1.
What is the InChIKey of 1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The InChIKey is DQOFUGVUXAVWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-13(18)17-7-4-3-5-12(17)14(19)16-8-6-11(9-15)10-16/h11-12H,2-10,15H2,1H3.
What are the key properties of 1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one?
1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one has a molecular weight of 267.37 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119483476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).