1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid

C14H24N2O4 — CID 102865230

IUPAC1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)N(CCCO)C2CCC2)C1
InChIInChI=1S/C14H24N2O4/c17-9-3-8-16(12-5-1-6-12)14(20)15-7-2-4-11(10-15)13(18)19/h11-12,17H,1-10H2,(H,18,19)
InChIKeyJZKRPZYVRNRFCB-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.14
Rot. Bonds5

About 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid

1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 102865230) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID102865230
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)N(CCCO)C2CCC2)C1
InChIInChI=1S/C14H24N2O4/c17-9-3-8-16(12-5-1-6-12)14(20)15-7-2-4-11(10-15)13(18)19/h11-12,17H,1-10H2,(H,18,19)
InChIKeyJZKRPZYVRNRFCB-UHFFFAOYSA-N
XLogP1.14
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 43270721
1-[3-hydroxypropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 54998929
1-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 102866122
(3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120227
(3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120598
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
N-cyclobutyl-N-(3-hydroxypropyl)cyclooctanecarboxamide
CID 102866891
(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120822
2-[4-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperazin-1-yl]acetic acid
CID 102865175
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-2-carboxylic acid
CID 102865081
N-cyclopentyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-carboxamide
CID 79159584
(3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid
CID 81118602

Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid (CID 102865230) is 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)N(CCCO)C2CCC2)C1.
What is the InChIKey of 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is JZKRPZYVRNRFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-9-3-8-16(12-5-1-6-12)14(20)15-7-2-4-11(10-15)13(18)19/h11-12,17H,1-10H2,(H,18,19).
What are the key properties of 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid?
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 102865230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).