N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide

C17H27N3O — CID 80547402

IUPACN,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide
SMILESCc1cccc(CN(C)C(=O)C(C)(C)N2CCNCC2)c1
InChIInChI=1S/C17H27N3O/c1-14-6-5-7-15(12-14)13-19(4)16(21)17(2,3)20-10-8-18-9-11-20/h5-7,12,18H,8-11,13H2,1-4H3
InChIKeyKDVJBLMNYCTSIK-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.64
Rot. Bonds4

About N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide

N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide (PubChem CID 80547402) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide
PubChem CID80547402
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide
SMILESCc1cccc(CN(C)C(=O)C(C)(C)N2CCNCC2)c1
InChIInChI=1S/C17H27N3O/c1-14-6-5-7-15(12-14)13-19(4)16(21)17(2,3)20-10-8-18-9-11-20/h5-7,12,18H,8-11,13H2,1-4H3
InChIKeyKDVJBLMNYCTSIK-UHFFFAOYSA-N
XLogP1.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
CID 80548409
N-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80548872
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine
CID 82295520
N-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide
CID 62210732
N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80548846
N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 63265575
N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80551052
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
3-[3-[[2,2-dimethylpropanoyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76907618
N-[(3-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide
CID 28802293
(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 81129550

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide?
The IUPAC name of N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide (CID 80547402) is N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide?
The canonical SMILES for N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide is Cc1cccc(CN(C)C(=O)C(C)(C)N2CCNCC2)c1.
What is the InChIKey of N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide?
The InChIKey is KDVJBLMNYCTSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-6-5-7-15(12-14)13-19(4)16(21)17(2,3)20-10-8-18-9-11-20/h5-7,12,18H,8-11,13H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide?
N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80547402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).