1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid

C14H24N2O5 — CID 114950906

IUPAC1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCN(CC1(O)CCOCC1)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H24N2O5/c1-15(10-14(20)4-7-21-8-5-14)13(19)16-6-2-3-11(9-16)12(17)18/h11,20H,2-10H2,1H3,(H,17,18)
InChIKeyCNUSKHATGUFFJB-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.38
Rot. Bonds3

About 1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid

1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 114950906) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID114950906
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCN(CC1(O)CCOCC1)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H24N2O5/c1-15(10-14(20)4-7-21-8-5-14)13(19)16-6-2-3-11(9-16)12(17)18/h11,20H,2-10H2,1H3,(H,17,18)
InChIKeyCNUSKHATGUFFJB-UHFFFAOYSA-N
XLogP0.38
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 114951241
1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 105419749
(2R)-1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104985552
(3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126391
(3R)-1-[2-cyanoethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120881
(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120822
(3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126254
1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 79385471
1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid
CID 115294492
(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
CID 115439749
(3S)-1-[methyl-(2-methylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125807
1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 43270721

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid (CID 114950906) is 1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid is CN(CC1(O)CCOCC1)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is CNUSKHATGUFFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-15(10-14(20)4-7-21-8-5-14)13(19)16-6-2-3-11(9-16)12(17)18/h11,20H,2-10H2,1H3,(H,17,18).
What are the key properties of 1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid?
1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 114950906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).