3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one

C15H29N3O — CID 81087100

IUPAC3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
SMILESCCC(CN)CC(=O)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C15H29N3O/c1-2-13(11-16)10-15(19)18-9-5-6-14(12-18)17-7-3-4-8-17/h13-14H,2-12,16H2,1H3
InChIKeyVMQKNVYZSQCAAA-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.45
Rot. Bonds5

About 3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one

3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one (PubChem CID 81087100) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
PubChem CID81087100
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
SMILESCCC(CN)CC(=O)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C15H29N3O/c1-2-13(11-16)10-15(19)18-9-5-6-14(12-18)17-7-3-4-8-17/h13-14H,2-12,16H2,1H3
InChIKeyVMQKNVYZSQCAAA-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one
CID 81071735
3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854
1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide
CID 103195301
3-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butan-1-one
CID 63151719
3-(ethylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
CID 62837626
4-amino-3-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 103155852
(2S)-2-amino-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one;dihydrochloride
CID 119858299
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(butan-2-ylamino)ethanone
CID 55164061
1-(3-pyrrolidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 54876488
2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 63168547
2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119877838
3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 81071625

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one?
The IUPAC name of 3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one (CID 81087100) is 3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one?
The canonical SMILES for 3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one is CCC(CN)CC(=O)N1CCCC(N2CCCC2)C1.
What is the InChIKey of 3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one?
The InChIKey is VMQKNVYZSQCAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-13(11-16)10-15(19)18-9-5-6-14(12-18)17-7-3-4-8-17/h13-14H,2-12,16H2,1H3.
What are the key properties of 3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one?
3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 81087100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).