3-[4-[(4-piperidin-4-ylphenyl)carbamoyl]phenyl]propanoic acid;hydrochloride

C21H25ClN2O3 — CID 67844932

IUPAC3-[4-[(4-piperidin-4-ylphenyl)carbamoyl]phenyl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1ccc(C(=O)Nc2ccc(C3CCNCC3)cc2)cc1
InChIInChI=1S/C21H24N2O3.ClH/c24-20(25)10-3-15-1-4-18(5-2-15)21(26)23-19-8-6-16(7-9-19)17-11-13-22-14-12-17;/h1-2,4-9,17,22H,3,10-14H2,(H,23,26)(H,24,25);1H
InChIKeyQDHDOTAVDZFODM-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.84
Rot. Bonds6

About 3-[4-[(4-piperidin-4-ylphenyl)carbamoyl]phenyl]propanoic acid;hydrochloride

3-[4-[(4-piperidin-4-ylphenyl)carbamoyl]phenyl]propanoic acid;hydrochloride (PubChem CID 67844932) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 3-[4-[(4-piperidin-4-ylphenyl)carbamoyl]phenyl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[4-[(4-piperidin-4-ylphenyl)carbamoyl]phenyl]propanoic acid;hydrochloride
PubChem CID67844932
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name3-[4-[(4-piperidin-4-ylphenyl)carbamoyl]phenyl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1ccc(C(=O)Nc2ccc(C3CCNCC3)cc2)cc1
InChIInChI=1S/C21H24N2O3.ClH/c24-20(25)10-3-15-1-4-18(5-2-15)21(26)23-19-8-6-16(7-9-19)17-11-13-22-14-12-17;/h1-2,4-9,17,22H,3,10-14H2,(H,23,26)(H,24,25);1H
InChIKeyQDHDOTAVDZFODM-UHFFFAOYSA-N
XLogP3.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-piperidin-3-ylphenyl)-4-propylbenzamide
CID 53251423
methyl 3-[3-methoxy-4-[(4-piperidin-4-ylbenzoyl)amino]phenyl]propanoate;hydrochloride
CID 67844603
methyl 3-[3-bromo-4-[(4-piperidin-4-ylbenzoyl)amino]phenyl]propanoate;hydrochloride
CID 67844601
4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]phenyl]benzamide
CID 124561571
3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid
CID 28760251
3-(4-piperidin-3-ylphenyl)propanoic acid
CID 116988287
methyl 3-[4-[(4-piperidin-4-ylphenyl)methylamino]phenyl]propanoate
CID 67844812
3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid
CID 23593002
4-ethynyl-N-(4-pyrrolidin-3-ylphenyl)benzamide
CID 53250757
3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid
CID 75495645
N-(4-cyclopropylphenyl)-4-phenylbenzamide
CID 123874228
3-[4-[(4-piperidin-4-ylbenzoyl)amino]piperidin-1-yl]propanoic acid
CID 67844916

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-piperidin-4-ylphenyl)carbamoyl]phenyl]propanoic acid;hydrochloride?
The IUPAC name of 3-[4-[(4-piperidin-4-ylphenyl)carbamoyl]phenyl]propanoic acid;hydrochloride (CID 67844932) is 3-[4-[(4-piperidin-4-ylphenyl)carbamoyl]phenyl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[4-[(4-piperidin-4-ylphenyl)carbamoyl]phenyl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[4-[(4-piperidin-4-ylphenyl)carbamoyl]phenyl]propanoic acid;hydrochloride is Cl.O=C(O)CCc1ccc(C(=O)Nc2ccc(C3CCNCC3)cc2)cc1.
What is the InChIKey of 3-[4-[(4-piperidin-4-ylphenyl)carbamoyl]phenyl]propanoic acid;hydrochloride?
The InChIKey is QDHDOTAVDZFODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3.ClH/c24-20(25)10-3-15-1-4-18(5-2-15)21(26)23-19-8-6-16(7-9-19)17-11-13-22-14-12-17;/h1-2,4-9,17,22H,3,10-14H2,(H,23,26)(H,24,25);1H.
What are the key properties of 3-[4-[(4-piperidin-4-ylphenyl)carbamoyl]phenyl]propanoic acid;hydrochloride?
3-[4-[(4-piperidin-4-ylphenyl)carbamoyl]phenyl]propanoic acid;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-piperidin-4-ylphenyl)carbamoyl]phenyl]propanoic acid;hydrochloride is sourced from PubChem (CID 67844932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).