(2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one

C15H29N3O — CID 93469877

IUPAC(2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
SMILESCC(C)C[C@@H](N)C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-12(2)11-14(16)15(19)18-9-5-13(6-10-18)17-7-3-4-8-17/h12-14H,3-11,16H2,1-2H3/t14-/m1/s1
InChIKeyFQEASCCZCGNCKN-CQSZACIVSA-N
MW267.42 g/mol
LogP1.45
Rot. Bonds4

About (2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one

(2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one (PubChem CID 93469877) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
PubChem CID93469877
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
SMILESCC(C)C[C@@H](N)C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-12(2)11-14(16)15(19)18-9-5-13(6-10-18)17-7-3-4-8-17/h12-14H,3-11,16H2,1-2H3/t14-/m1/s1
InChIKeyFQEASCCZCGNCKN-CQSZACIVSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid
CID 64895343
2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 61041479
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 47003200
2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 63167118
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylpropanamide
CID 61164143
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947774
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119852066
(2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one
CID 103929400
3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid
CID 62215529
(2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 122080878

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one?
The IUPAC name of (2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one (CID 93469877) is (2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one.
What is the SMILES notation for (2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one?
The canonical SMILES for (2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one is CC(C)C[C@@H](N)C(=O)N1CCC(N2CCCC2)CC1.
What is the InChIKey of (2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one?
The InChIKey is FQEASCCZCGNCKN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)11-14(16)15(19)18-9-5-13(6-10-18)17-7-3-4-8-17/h12-14H,3-11,16H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one?
(2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 93469877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).