2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid

C18H25N3O4 — CID 119178659

IUPAC2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid
SMILESCC(C)NC(=O)Nc1ccc(C(=O)N2CCC(CC(=O)O)CC2)cc1
InChIInChI=1S/C18H25N3O4/c1-12(2)19-18(25)20-15-5-3-14(4-6-15)17(24)21-9-7-13(8-10-21)11-16(22)23/h3-6,12-13H,7-11H2,1-2H3,(H,22,23)(H2,19,20,25)
InChIKeyMYULMVNFRZAZRA-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.54
Rot. Bonds5

About 2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid

2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid (PubChem CID 119178659) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid
PubChem CID119178659
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid
SMILESCC(C)NC(=O)Nc1ccc(C(=O)N2CCC(CC(=O)O)CC2)cc1
InChIInChI=1S/C18H25N3O4/c1-12(2)19-18(25)20-15-5-3-14(4-6-15)17(24)21-9-7-13(8-10-21)11-16(22)23/h3-6,12-13H,7-11H2,1-2H3,(H,22,23)(H2,19,20,25)
InChIKeyMYULMVNFRZAZRA-UHFFFAOYSA-N
XLogP2.54
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 119646975
N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide
CID 55843750
1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 119412031
2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 79614725
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride
CID 120814203
2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid
CID 78980430
2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid
CID 79612502
1-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-3-propan-2-ylurea
CID 120657026
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
1-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 55851140
1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46384509
2-[1-(4-cyanobenzoyl)piperidin-4-yl]acetic acid
CID 78980423

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid (CID 119178659) is 2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid is CC(C)NC(=O)Nc1ccc(C(=O)N2CCC(CC(=O)O)CC2)cc1.
What is the InChIKey of 2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid?
The InChIKey is MYULMVNFRZAZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12(2)19-18(25)20-15-5-3-14(4-6-15)17(24)21-9-7-13(8-10-21)11-16(22)23/h3-6,12-13H,7-11H2,1-2H3,(H,22,23)(H2,19,20,25).
What are the key properties of 2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid?
2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid has a molecular weight of 347.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).