(2S)-2-amino-3-cyclopropyl-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one

C14H27N3O — CID 112735279

IUPAC(2S)-2-amino-3-cyclopropyl-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
SMILESCN(C)CC1CCN(C(=O)[C@@H](N)CC2CC2)CC1
InChIInChI=1S/C14H27N3O/c1-16(2)10-12-5-7-17(8-6-12)14(18)13(15)9-11-3-4-11/h11-13H,3-10,15H2,1-2H3/t13-/m0/s1
InChIKeyNKIKLJAANGQKAF-ZDUSSCGKSA-N
MW253.39 g/mol
LogP0.91
Rot. Bonds5

About (2S)-2-amino-3-cyclopropyl-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one

(2S)-2-amino-3-cyclopropyl-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one (PubChem CID 112735279) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclopropyl-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclopropyl-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
PubChem CID112735279
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(2S)-2-amino-3-cyclopropyl-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
SMILESCN(C)CC1CCN(C(=O)[C@@H](N)CC2CC2)CC1
InChIInChI=1S/C14H27N3O/c1-16(2)10-12-5-7-17(8-6-12)14(18)13(15)9-11-3-4-11/h11-13H,3-10,15H2,1-2H3/t13-/m0/s1
InChIKeyNKIKLJAANGQKAF-ZDUSSCGKSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
CID 61148515
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119852066
(2R)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 79012715
2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]pentan-1-one
CID 54874457
2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3,3-dimethylbutanoic acid
CID 116536942
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 79201880
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 103429730
(2S)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 93255628
2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide
CID 76926862
1-(2-amino-3-cyclohexylpropanoyl)piperidine-4-carboxamide;hydrochloride
CID 138041082
[4-[(2S)-2-amino-3-oxo-3-pyrrolidin-1-ylpropyl]cyclohexyl] N,N-diethylcarbamate
CID 143146345
4-[(dimethylamino)methyl]-N-methylpiperidine-1-carboxamide
CID 115583877

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclopropyl-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-3-cyclopropyl-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one (CID 112735279) is (2S)-2-amino-3-cyclopropyl-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-3-cyclopropyl-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-3-cyclopropyl-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one is CN(C)CC1CCN(C(=O)[C@@H](N)CC2CC2)CC1.
What is the InChIKey of (2S)-2-amino-3-cyclopropyl-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is NKIKLJAANGQKAF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16(2)10-12-5-7-17(8-6-12)14(18)13(15)9-11-3-4-11/h11-13H,3-10,15H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclopropyl-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one?
(2S)-2-amino-3-cyclopropyl-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 253.39 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclopropyl-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 112735279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).