3-[4-(3-methylphenyl)piperazin-1-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide

C21H34N4O — CID 119532179

IUPAC3-[4-(3-methylphenyl)piperazin-1-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)CCN1CCN(c2cccc(C)c2)CC1)C1CCNC1
InChIInChI=1S/C21H34N4O/c1-3-10-25(20-7-9-22-17-20)21(26)8-11-23-12-14-24(15-13-23)19-6-4-5-18(2)16-19/h4-6,16,20,22H,3,7-15,17H2,1-2H3
InChIKeyLMGUEDKWRLDQPC-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.11
Rot. Bonds7

About 3-[4-(3-methylphenyl)piperazin-1-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide

3-[4-(3-methylphenyl)piperazin-1-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 119532179) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)piperazin-1-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-[4-(3-methylphenyl)piperazin-1-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide
PubChem CID119532179
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name3-[4-(3-methylphenyl)piperazin-1-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)CCN1CCN(c2cccc(C)c2)CC1)C1CCNC1
InChIInChI=1S/C21H34N4O/c1-3-10-25(20-7-9-22-17-20)21(26)8-11-23-12-14-24(15-13-23)19-6-4-5-18(2)16-19/h4-6,16,20,22H,3,7-15,17H2,1-2H3
InChIKeyLMGUEDKWRLDQPC-UHFFFAOYSA-N
XLogP2.11
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94420232
3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 60807030
N-piperidin-4-yl-N-propyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119823231
N-methyl-3-(4-phenylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide
CID 119554014
1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide
CID 119531389
3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 119402779
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
CID 120663604
2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119529832
N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119532295
3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 62367590

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide (CID 119532179) is 3-[4-(3-methylphenyl)piperazin-1-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide is CCCN(C(=O)CCN1CCN(c2cccc(C)c2)CC1)C1CCNC1.
What is the InChIKey of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is LMGUEDKWRLDQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-3-10-25(20-7-9-22-17-20)21(26)8-11-23-12-14-24(15-13-23)19-6-4-5-18(2)16-19/h4-6,16,20,22H,3,7-15,17H2,1-2H3.
What are the key properties of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide?
3-[4-(3-methylphenyl)piperazin-1-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 358.53 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119532179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).