(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one

C12H23N3O — CID 121230409

IUPAC(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C12H23N3O/c1-9(13)12(16)15-6-4-11(5-7-15)14-8-10-2-3-10/h9-11,14H,2-8,13H2,1H3/t9-/m0/s1
InChIKeyBUFWUJYCDMQNBG-VIFPVBQESA-N
MW225.34 g/mol
LogP0.32
Rot. Bonds4

About (2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one

(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one (PubChem CID 121230409) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
PubChem CID121230409
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C12H23N3O/c1-9(13)12(16)15-6-4-11(5-7-15)14-8-10-2-3-10/h9-11,14H,2-8,13H2,1H3/t9-/m0/s1
InChIKeyBUFWUJYCDMQNBG-VIFPVBQESA-N
XLogP0.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 121230377
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one
CID 119624807
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 119622420
N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
CID 66567593
2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one
CID 62386340
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162
3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119623980
2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 122080822
2-butoxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119624880
2-(cyclohexylmethyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 119623970
(2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one
CID 119337266
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 81482925

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one (CID 121230409) is (2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one is C[C@H](N)C(=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one?
The InChIKey is BUFWUJYCDMQNBG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(13)12(16)15-6-4-11(5-7-15)14-8-10-2-3-10/h9-11,14H,2-8,13H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one?
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one has a molecular weight of 225.34 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 121230409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).