2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid

C12H20N2O3 — CID 79608907

IUPAC2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)NCC2CC2)CC1
InChIInChI=1S/C12H20N2O3/c15-11(16)7-9-3-5-14(6-4-9)12(17)13-8-10-1-2-10/h9-10H,1-8H2,(H,13,17)(H,15,16)
InChIKeyAOROGKOPAJMZEQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.29
Rot. Bonds4

About 2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid

2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid (PubChem CID 79608907) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid
PubChem CID79608907
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)NCC2CC2)CC1
InChIInChI=1S/C12H20N2O3/c15-11(16)7-9-3-5-14(6-4-9)12(17)13-8-10-1-2-10/h9-10H,1-8H2,(H,13,17)(H,15,16)
InChIKeyAOROGKOPAJMZEQ-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79612545
2-[1-(propylcarbamoyl)piperidin-4-yl]acetic acid
CID 29080141
2-[1-(cyclobutylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64616008
2-[1-(3-methylbut-2-enylcarbamoyl)piperidin-4-yl]acetic acid
CID 114156215
2-[1-(3-methoxypropylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608847
2-[1-[(4-methylcyclohexyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 63244628
2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid
CID 106005309
ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
CID 144702610
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936
N-(cyclopropylmethyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 55793748
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide
CID 115590481

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid (CID 79608907) is 2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)NCC2CC2)CC1.
What is the InChIKey of 2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid?
The InChIKey is AOROGKOPAJMZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(16)7-9-3-5-14(6-4-9)12(17)13-8-10-1-2-10/h9-10H,1-8H2,(H,13,17)(H,15,16).
What are the key properties of 2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid?
2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79608907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).