2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one

C12H23N3O — CID 61041479

IUPAC2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
SMILESCC(N)C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C12H23N3O/c1-10(13)12(16)15-8-4-11(5-9-15)14-6-2-3-7-14/h10-11H,2-9,13H2,1H3
InChIKeyTYJQETGDPOFZFJ-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.42
Rot. Bonds2

About 2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one

2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one (PubChem CID 61041479) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
PubChem CID61041479
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
SMILESCC(N)C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C12H23N3O/c1-10(13)12(16)15-8-4-11(5-9-15)14-6-2-3-7-14/h10-11H,2-9,13H2,1H3
InChIKeyTYJQETGDPOFZFJ-UHFFFAOYSA-N
XLogP0.42
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 78925476
(2R)-2-amino-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
CID 129371509
(2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 93469877
(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one
CID 66564392
(2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one
CID 103929400
2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 103497901
(2S)-2-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-1-one
CID 63151458
2-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-1-one
CID 63151715
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079
3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid
CID 64895343
(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 1439732
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one (CID 61041479) is 2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one is CC(N)C(=O)N1CCC(N2CCCC2)CC1.
What is the InChIKey of 2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one?
The InChIKey is TYJQETGDPOFZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(13)12(16)15-8-4-11(5-9-15)14-6-2-3-7-14/h10-11H,2-9,13H2,1H3.
What are the key properties of 2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one?
2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one has a molecular weight of 225.34 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 61041479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).