3-[3-(piperazine-1-carbonylamino)phenyl]propanoic acid

C14H19N3O3 — CID 115340755

IUPAC3-[3-(piperazine-1-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)N2CCNCC2)c1
InChIInChI=1S/C14H19N3O3/c18-13(19)5-4-11-2-1-3-12(10-11)16-14(20)17-8-6-15-7-9-17/h1-3,10,15H,4-9H2,(H,16,20)(H,18,19)
InChIKeyDEUQPNRBIVSJST-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.14
Rot. Bonds4

About 3-[3-(piperazine-1-carbonylamino)phenyl]propanoic acid

3-[3-(piperazine-1-carbonylamino)phenyl]propanoic acid (PubChem CID 115340755) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[3-(piperazine-1-carbonylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(piperazine-1-carbonylamino)phenyl]propanoic acid
PubChem CID115340755
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[3-(piperazine-1-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)N2CCNCC2)c1
InChIInChI=1S/C14H19N3O3/c18-13(19)5-4-11-2-1-3-12(10-11)16-14(20)17-8-6-15-7-9-17/h1-3,10,15H,4-9H2,(H,16,20)(H,18,19)
InChIKeyDEUQPNRBIVSJST-UHFFFAOYSA-N
XLogP1.14
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(azepane-1-carbonylamino)phenyl]propanoic acid
CID 115339440
3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid
CID 115339856
3-[3-(piperidin-4-ylcarbamoylamino)phenyl]propanoic acid
CID 115340762
N-[4-[[3-(aminomethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxamide
CID 174909845
(E)-3-[3-(piperazine-1-carbonylamino)phenyl]prop-2-enoic acid
CID 115340753
3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid
CID 115340504
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682
N-phenyl-1,4-diazepane-1-carboxamide;hydrochloride
CID 42886604
N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 112725657
N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]thiomorpholine-4-carboxamide
CID 72857348
3-[3-[[2-(carboxymethylsulfanyl)acetyl]amino]phenyl]propanoic acid
CID 120613796

Frequently Asked Questions

What is the IUPAC name of 3-[3-(piperazine-1-carbonylamino)phenyl]propanoic acid?
The IUPAC name of 3-[3-(piperazine-1-carbonylamino)phenyl]propanoic acid (CID 115340755) is 3-[3-(piperazine-1-carbonylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[3-(piperazine-1-carbonylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[3-(piperazine-1-carbonylamino)phenyl]propanoic acid is O=C(O)CCc1cccc(NC(=O)N2CCNCC2)c1.
What is the InChIKey of 3-[3-(piperazine-1-carbonylamino)phenyl]propanoic acid?
The InChIKey is DEUQPNRBIVSJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(19)5-4-11-2-1-3-12(10-11)16-14(20)17-8-6-15-7-9-17/h1-3,10,15H,4-9H2,(H,16,20)(H,18,19).
What are the key properties of 3-[3-(piperazine-1-carbonylamino)phenyl]propanoic acid?
3-[3-(piperazine-1-carbonylamino)phenyl]propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(piperazine-1-carbonylamino)phenyl]propanoic acid is sourced from PubChem (CID 115340755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).