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

C15H26N2O3 — CID 79606564

IUPAC2-[1-[cyclopropylmethyl(propyl)carbamoyl]piperidin-4-yl]acetic acid
SMILESCCCN(CC1CC1)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-2-7-17(11-13-3-4-13)15(20)16-8-5-12(6-9-16)10-14(18)19/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyAKAKRTSTOSDLTC-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.42
Rot. Bonds6

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

2-[1-[cyclopropylmethyl(propyl)carbamoyl]piperidin-4-yl]acetic acid (PubChem CID 79606564) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-[cyclopropylmethyl(propyl)carbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[cyclopropylmethyl(propyl)carbamoyl]piperidin-4-yl]acetic acid
PubChem CID79606564
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-[cyclopropylmethyl(propyl)carbamoyl]piperidin-4-yl]acetic acid
SMILESCCCN(CC1CC1)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-2-7-17(11-13-3-4-13)15(20)16-8-5-12(6-9-16)10-14(18)19/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyAKAKRTSTOSDLTC-UHFFFAOYSA-N
XLogP2.42
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606749
N-(cyclopropylmethyl)-N-propylpyrrolidine-1-carboxamide
CID 115578768
2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608327
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-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid
CID 54986151
(2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61443079
2-[1-(propylcarbamoyl)piperidin-4-yl]acetic acid
CID 29080141
2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid
CID 79605780
2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid
CID 43655845
N-(cyclopropylmethyl)-N-propylacetamide
CID 59001159
2-[cyclopropylmethyl-(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid
CID 43656162

Frequently Asked Questions

What is the IUPAC name of 2-[1-[cyclopropylmethyl(propyl)carbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[cyclopropylmethyl(propyl)carbamoyl]piperidin-4-yl]acetic acid (CID 79606564) is 2-[1-[cyclopropylmethyl(propyl)carbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[cyclopropylmethyl(propyl)carbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[cyclopropylmethyl(propyl)carbamoyl]piperidin-4-yl]acetic acid is CCCN(CC1CC1)C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[cyclopropylmethyl(propyl)carbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is AKAKRTSTOSDLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-7-17(11-13-3-4-13)15(20)16-8-5-12(6-9-16)10-14(18)19/h12-13H,2-11H2,1H3,(H,18,19).
What are the key properties of 2-[1-[cyclopropylmethyl(propyl)carbamoyl]piperidin-4-yl]acetic acid?
2-[1-[cyclopropylmethyl(propyl)carbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[cyclopropylmethyl(propyl)carbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79606564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).