(3R)-3-(cyclopropylmethyl)-1-[1-(2-hydroxyethyl)piperidine-4-carbonyl]piperidine-3-carboxylic acid

C18H30N2O4 — CID 97121414

IUPAC(3R)-3-(cyclopropylmethyl)-1-[1-(2-hydroxyethyl)piperidine-4-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(C1CCN(CCO)CC1)N1CCC[C@](CC2CC2)(C(=O)O)C1
InChIInChI=1S/C18H30N2O4/c21-11-10-19-8-4-15(5-9-19)16(22)20-7-1-6-18(13-20,17(23)24)12-14-2-3-14/h14-15,21H,1-13H2,(H,23,24)/t18-/m1/s1
InChIKeyBCULOBBECPDVDS-GOSISDBHSA-N
MW338.45 g/mol
LogP1.18
Rot. Bonds6

About (3R)-3-(cyclopropylmethyl)-1-[1-(2-hydroxyethyl)piperidine-4-carbonyl]piperidine-3-carboxylic acid

(3R)-3-(cyclopropylmethyl)-1-[1-(2-hydroxyethyl)piperidine-4-carbonyl]piperidine-3-carboxylic acid (PubChem CID 97121414) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is (3R)-3-(cyclopropylmethyl)-1-[1-(2-hydroxyethyl)piperidine-4-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(cyclopropylmethyl)-1-[1-(2-hydroxyethyl)piperidine-4-carbonyl]piperidine-3-carboxylic acid
PubChem CID97121414
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name(3R)-3-(cyclopropylmethyl)-1-[1-(2-hydroxyethyl)piperidine-4-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(C1CCN(CCO)CC1)N1CCC[C@](CC2CC2)(C(=O)O)C1
InChIInChI=1S/C18H30N2O4/c21-11-10-19-8-4-15(5-9-19)16(22)20-7-1-6-18(13-20,17(23)24)12-14-2-3-14/h14-15,21H,1-13H2,(H,23,24)/t18-/m1/s1
InChIKeyBCULOBBECPDVDS-GOSISDBHSA-N
XLogP1.18
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclopropylmethyl)-1-[1-(2-hydroxyethyl)piperidine-4-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-(cyclopropylmethyl)-1-[1-(2-hydroxyethyl)piperidine-4-carbonyl]piperidine-3-carboxylic acid (CID 97121414) is (3R)-3-(cyclopropylmethyl)-1-[1-(2-hydroxyethyl)piperidine-4-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-(cyclopropylmethyl)-1-[1-(2-hydroxyethyl)piperidine-4-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-(cyclopropylmethyl)-1-[1-(2-hydroxyethyl)piperidine-4-carbonyl]piperidine-3-carboxylic acid is O=C(C1CCN(CCO)CC1)N1CCC[C@](CC2CC2)(C(=O)O)C1.
What is the InChIKey of (3R)-3-(cyclopropylmethyl)-1-[1-(2-hydroxyethyl)piperidine-4-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is BCULOBBECPDVDS-GOSISDBHSA-N. The full InChI is InChI=1S/C18H30N2O4/c21-11-10-19-8-4-15(5-9-19)16(22)20-7-1-6-18(13-20,17(23)24)12-14-2-3-14/h14-15,21H,1-13H2,(H,23,24)/t18-/m1/s1.
What are the key properties of (3R)-3-(cyclopropylmethyl)-1-[1-(2-hydroxyethyl)piperidine-4-carbonyl]piperidine-3-carboxylic acid?
(3R)-3-(cyclopropylmethyl)-1-[1-(2-hydroxyethyl)piperidine-4-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 338.45 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclopropylmethyl)-1-[1-(2-hydroxyethyl)piperidine-4-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 97121414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).