(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide

C18H27N3O — CID 34892541

IUPAC(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)N1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C18H27N3O/c1-4-8-19-18(22)16(3)21-11-9-20(10-12-21)14-17-7-5-6-15(2)13-17/h4-7,13,16H,1,8-12,14H2,2-3H3,(H,19,22)/t16-/m1/s1
InChIKeyBXQDZVZGICJZKE-MRXNPFEDSA-N
MW301.43 g/mol
LogP1.80
Rot. Bonds6

About (2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide

(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide (PubChem CID 34892541) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide
PubChem CID34892541
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)N1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C18H27N3O/c1-4-8-19-18(22)16(3)21-11-9-20(10-12-21)14-17-7-5-6-15(2)13-17/h4-7,13,16H,1,8-12,14H2,2-3H3,(H,19,22)/t16-/m1/s1
InChIKeyBXQDZVZGICJZKE-MRXNPFEDSA-N
XLogP1.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266113
(2R)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266116
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266337
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266339
(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266173
(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 9266285
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9293406
N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoyl]phenyl]acetamide
CID 42916797
2-(4-benzylpiperazin-1-yl)-N-(3-methylphenyl)propanamide
CID 42858680
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266134
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(3-nitrophenyl)propanamide
CID 46807813
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 46744287

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide?
The IUPAC name of (2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide (CID 34892541) is (2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for (2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for (2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)[C@@H](C)N1CCN(Cc2cccc(C)c2)CC1.
What is the InChIKey of (2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide?
The InChIKey is BXQDZVZGICJZKE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O/c1-4-8-19-18(22)16(3)21-11-9-20(10-12-21)14-17-7-5-6-15(2)13-17/h4-7,13,16H,1,8-12,14H2,2-3H3,(H,19,22)/t16-/m1/s1.
What are the key properties of (2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide?
(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide has a molecular weight of 301.43 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 34892541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).