2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid

C14H24N2O3 — CID 79606749

IUPAC2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid
SMILESCCN(CC1CC1)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-2-15(10-12-3-4-12)14(19)16-7-5-11(6-8-16)9-13(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyUHQGXDHZKAJGCG-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.03
Rot. Bonds5

About 2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid

2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid (PubChem CID 79606749) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid
PubChem CID79606749
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid
SMILESCCN(CC1CC1)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-2-15(10-12-3-4-12)14(19)16-7-5-11(6-8-16)9-13(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyUHQGXDHZKAJGCG-UHFFFAOYSA-N
XLogP2.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[cyclopropylmethyl(propyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606564
2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608327
2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid
CID 54986151
N-(cyclobutylmethyl)-N-ethylpyrrolidine-1-carboxamide
CID 107397947
N-(cyclobutylmethyl)-N-ethylazepane-1-carboxamide
CID 107397929
2-[cyclopropylmethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 43656071
2-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609047
2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 61195912
2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid
CID 43655845
N-(cyclopropylmethyl)-N-propylpyrrolidine-1-carboxamide
CID 115578768
2-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]acetic acid
CID 61190974
2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79606572

Frequently Asked Questions

What is the IUPAC name of 2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid (CID 79606749) is 2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid is CCN(CC1CC1)C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is UHQGXDHZKAJGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-15(10-12-3-4-12)14(19)16-7-5-11(6-8-16)9-13(17)18/h11-12H,2-10H2,1H3,(H,17,18).
What are the key properties of 2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid?
2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79606749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).