1-[cyclopropyl(cyclopropylmethyl)carbamoyl]piperidine-4-carboxylic acid

C14H22N2O3 — CID 64522393

IUPAC1-[cyclopropyl(cyclopropylmethyl)carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N(CC2CC2)C2CC2)CC1
InChIInChI=1S/C14H22N2O3/c17-13(18)11-5-7-15(8-6-11)14(19)16(12-3-4-12)9-10-1-2-10/h10-12H,1-9H2,(H,17,18)
InChIKeyLXWNRSBALPAYNY-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.78
Rot. Bonds4

About 1-[cyclopropyl(cyclopropylmethyl)carbamoyl]piperidine-4-carboxylic acid

1-[cyclopropyl(cyclopropylmethyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 64522393) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[cyclopropyl(cyclopropylmethyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(cyclopropylmethyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID64522393
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[cyclopropyl(cyclopropylmethyl)carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N(CC2CC2)C2CC2)CC1
InChIInChI=1S/C14H22N2O3/c17-13(18)11-5-7-15(8-6-11)14(19)16(12-3-4-12)9-10-1-2-10/h10-12H,1-9H2,(H,17,18)
InChIKeyLXWNRSBALPAYNY-UHFFFAOYSA-N
XLogP1.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 64520803
1-[ethyl(piperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 61408507
1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62656849
4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 138986360
piperidine-1,4-dicarboxylic acid
CID 18542445
2-[cyclopropyl(piperidine-1-carbonyl)amino]acetic acid
CID 61183378
N-cyclopropyl-N-(cyclopropylmethyl)cyclopropanecarboxamide
CID 63104396
1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 43570510
2-[cyclopropyl-(4-propylpiperidine-1-carbonyl)amino]acetic acid
CID 62206678
2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid
CID 43655845
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
1-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-4-carboxylic acid
CID 43569525

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(cyclopropylmethyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(cyclopropylmethyl)carbamoyl]piperidine-4-carboxylic acid (CID 64522393) is 1-[cyclopropyl(cyclopropylmethyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(cyclopropylmethyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(cyclopropylmethyl)carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)N(CC2CC2)C2CC2)CC1.
What is the InChIKey of 1-[cyclopropyl(cyclopropylmethyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is LXWNRSBALPAYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-13(18)11-5-7-15(8-6-11)14(19)16(12-3-4-12)9-10-1-2-10/h10-12H,1-9H2,(H,17,18).
What are the key properties of 1-[cyclopropyl(cyclopropylmethyl)carbamoyl]piperidine-4-carboxylic acid?
1-[cyclopropyl(cyclopropylmethyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(cyclopropylmethyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 64522393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).