(2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride

C17H29Cl2N3O — CID 119844586

IUPAC(2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride
SMILESCC[C@H](N)C(=O)NC1CCN(CCc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-2-16(18)17(21)19-15-9-12-20(13-10-15)11-8-14-6-4-3-5-7-14;;/h3-7,15-16H,2,8-13,18H2,1H3,(H,19,21);2*1H/t16-;;/m0../s1
InChIKeyWVMNWNADADTWCI-SQKCAUCHSA-N
MW362.35 g/mol
LogP2.39
Rot. Bonds6

About (2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride

(2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride (PubChem CID 119844586) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride
PubChem CID119844586
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name(2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride
SMILESCC[C@H](N)C(=O)NC1CCN(CCc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-2-16(18)17(21)19-15-9-12-20(13-10-15)11-8-14-6-4-3-5-7-14;;/h3-7,15-16H,2,8-13,18H2,1H3,(H,19,21);2*1H/t16-;;/m0../s1
InChIKeyWVMNWNADADTWCI-SQKCAUCHSA-N
XLogP2.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 104983890
(2R)-2-amino-3-methyl-3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 157018144
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
2-amino-N-(1-ethylpiperidin-4-yl)-3-phenylpropanamide
CID 61039141
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119831669
2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide
CID 119861342
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119844580
(2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119862385

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride (CID 119844586) is (2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride is CC[C@H](N)C(=O)NC1CCN(CCc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride?
The InChIKey is WVMNWNADADTWCI-SQKCAUCHSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-2-16(18)17(21)19-15-9-12-20(13-10-15)11-8-14-6-4-3-5-7-14;;/h3-7,15-16H,2,8-13,18H2,1H3,(H,19,21);2*1H/t16-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride?
(2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride is sourced from PubChem (CID 119844586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).