1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid

C20H29N3O3 — CID 119349672

IUPAC1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid
SMILESCc1cccc(N2CCN(CCC(=O)N3CCC(C(=O)O)CC3)CC2)c1
InChIInChI=1S/C20H29N3O3/c1-16-3-2-4-18(15-16)22-13-11-21(12-14-22)8-7-19(24)23-9-5-17(6-10-23)20(25)26/h2-4,15,17H,5-14H2,1H3,(H,25,26)
InChIKeyCDLZBNBUSNBOBI-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.83
Rot. Bonds5

About 1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid

1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid (PubChem CID 119349672) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid
PubChem CID119349672
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid
SMILESCc1cccc(N2CCN(CCC(=O)N3CCC(C(=O)O)CC3)CC2)c1
InChIInChI=1S/C20H29N3O3/c1-16-3-2-4-18(15-16)22-13-11-21(12-14-22)8-7-19(24)23-9-5-17(6-10-23)20(25)26/h2-4,15,17H,5-14H2,1H3,(H,25,26)
InChIKeyCDLZBNBUSNBOBI-UHFFFAOYSA-N
XLogP1.83
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 119402779
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119647186
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 119663793
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
1-(1,4-diazepan-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119417381
1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029372
1-[2-(aminomethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 119468706
1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 119436773
1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 24568541
(2S)-2-amino-5-[4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 23007958
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 6950012

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid (CID 119349672) is 1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid is Cc1cccc(N2CCN(CCC(=O)N3CCC(C(=O)O)CC3)CC2)c1.
What is the InChIKey of 1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid?
The InChIKey is CDLZBNBUSNBOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-16-3-2-4-18(15-16)22-13-11-21(12-14-22)8-7-19(24)23-9-5-17(6-10-23)20(25)26/h2-4,15,17H,5-14H2,1H3,(H,25,26).
What are the key properties of 1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid?
1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid has a molecular weight of 359.47 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119349672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).