N-[4-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenyl]acetamide;dihydrochloride

C16H25Cl2N3O — CID 171291177

IUPACN-[4-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenyl]acetamide;dihydrochloride
SMILESCC(=O)Nc1ccc([C@@H](C2CC2)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C16H23N3O.2ClH/c1-12(20)18-15-6-4-14(5-7-15)16(13-2-3-13)19-10-8-17-9-11-19;;/h4-7,13,16-17H,2-3,8-11H2,1H3,(H,18,20);2*1H/t16-;;/m1../s1
InChIKeyBOLFGDMPHKWCPG-GGMCWBHBSA-N
MW346.30 g/mol
LogP2.84
Rot. Bonds4

About N-[4-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenyl]acetamide;dihydrochloride

N-[4-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenyl]acetamide;dihydrochloride (PubChem CID 171291177) has the molecular formula C16H25Cl2N3O and a molecular weight of 346.30 g/mol. Its IUPAC name is N-[4-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenyl]acetamide;dihydrochloride
PubChem CID171291177
Molecular FormulaC16H25Cl2N3O
Molecular Weight346.30 g/mol
Exact Mass345.14
IUPAC NameN-[4-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenyl]acetamide;dihydrochloride
SMILESCC(=O)Nc1ccc([C@@H](C2CC2)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C16H23N3O.2ClH/c1-12(20)18-15-6-4-14(5-7-15)16(13-2-3-13)19-10-8-17-9-11-19;;/h4-7,13,16-17H,2-3,8-11H2,1H3,(H,18,20);2*1H/t16-;;/m1../s1
InChIKeyBOLFGDMPHKWCPG-GGMCWBHBSA-N
XLogP2.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
CID 171286878
N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride
CID 171183073
N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide;dihydrochloride
CID 171304593
N-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide
CID 171306857
N-benzyl-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]aniline;dihydrochloride
CID 171287703
N-[4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenyl]acetamide;dihydrochloride
CID 171303739
4-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzonitrile;dihydrochloride
CID 171285146
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185
N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide
CID 171304592
1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine
CID 95477475
1-[(S)-cyclopropyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;dihydrochloride
CID 171278996
[4-[(R)-cyclopropyl(piperazin-1-yl)methyl]-2-hydroxyphenyl] acetate
CID 171295408

Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenyl]acetamide;dihydrochloride?
The IUPAC name of N-[4-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenyl]acetamide;dihydrochloride (CID 171291177) is N-[4-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenyl]acetamide;dihydrochloride.
What is the SMILES notation for N-[4-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenyl]acetamide;dihydrochloride?
The canonical SMILES for N-[4-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenyl]acetamide;dihydrochloride is CC(=O)Nc1ccc([C@@H](C2CC2)N2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of N-[4-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenyl]acetamide;dihydrochloride?
The InChIKey is BOLFGDMPHKWCPG-GGMCWBHBSA-N. The full InChI is InChI=1S/C16H23N3O.2ClH/c1-12(20)18-15-6-4-14(5-7-15)16(13-2-3-13)19-10-8-17-9-11-19;;/h4-7,13,16-17H,2-3,8-11H2,1H3,(H,18,20);2*1H/t16-;;/m1../s1.
What are the key properties of N-[4-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenyl]acetamide;dihydrochloride?
N-[4-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenyl]acetamide;dihydrochloride has a molecular weight of 346.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 171291177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).