(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride

C15H23Cl4N3O — CID 119883495

IUPAC(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride
SMILESC[C@@H](N)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.Cl.Cl
InChIInChI=1S/C15H21Cl2N3O.2ClH/c1-10(18)15(21)19-12-4-6-20(7-5-12)9-11-2-3-13(16)14(17)8-11;;/h2-3,8,10,12H,4-7,9,18H2,1H3,(H,19,21);2*1H/t10-;;/m1../s1
InChIKeyAROGZMPLWGZFTC-YQFADDPSSA-N
MW403.18 g/mol
LogP3.26
Rot. Bonds4

About (2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride

(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride (PubChem CID 119883495) has the molecular formula C15H23Cl4N3O and a molecular weight of 403.18 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride
PubChem CID119883495
Molecular FormulaC15H23Cl4N3O
Molecular Weight403.18 g/mol
Exact Mass401.06
IUPAC Name(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride
SMILESC[C@@H](N)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.Cl.Cl
InChIInChI=1S/C15H21Cl2N3O.2ClH/c1-10(18)15(21)19-12-4-6-20(7-5-12)9-11-2-3-13(16)14(17)8-11;;/h2-3,8,10,12H,4-7,9,18H2,1H3,(H,19,21);2*1H/t10-;;/m1../s1
InChIKeyAROGZMPLWGZFTC-YQFADDPSSA-N
XLogP3.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.18
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
1-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119883491
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide
CID 86993237
(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
CID 120872926
1-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 119883492
3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119883485
4-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzoic acid
CID 24745154
N-[2-[[[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
CID 111994673
lithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride
CID 173119954
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride (CID 119883495) is (2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride is C[C@@H](N)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride?
The InChIKey is AROGZMPLWGZFTC-YQFADDPSSA-N. The full InChI is InChI=1S/C15H21Cl2N3O.2ClH/c1-10(18)15(21)19-12-4-6-20(7-5-12)9-11-2-3-13(16)14(17)8-11;;/h2-3,8,10,12H,4-7,9,18H2,1H3,(H,19,21);2*1H/t10-;;/m1../s1.
What are the key properties of (2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride?
(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride has a molecular weight of 403.18 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride is sourced from PubChem (CID 119883495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).