(3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid

C13H20N4O4 — CID 81118704

IUPAC(3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCOCCn1cc(NC(=O)N2CCC[C@H](C(=O)O)C2)cn1
InChIInChI=1S/C13H20N4O4/c1-21-6-5-17-9-11(7-14-17)15-13(20)16-4-2-3-10(8-16)12(18)19/h7,9-10H,2-6,8H2,1H3,(H,15,20)(H,18,19)/t10-/m0/s1
InChIKeyVZRVPNXWSYLVER-JTQLQIEISA-N
MW296.33 g/mol
LogP0.86
Rot. Bonds5

About (3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid

(3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81118704) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is (3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID81118704
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name(3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCOCCn1cc(NC(=O)N2CCC[C@H](C(=O)O)C2)cn1
InChIInChI=1S/C13H20N4O4/c1-21-6-5-17-9-11(7-14-17)15-13(20)16-4-2-3-10(8-16)12(18)19/h7,9-10H,2-6,8H2,1H3,(H,15,20)(H,18,19)/t10-/m0/s1
InChIKeyVZRVPNXWSYLVER-JTQLQIEISA-N
XLogP0.86
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43535289
(3R)-1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120044
(2S,6S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 94156989
(3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 52639571
(3aS,6aR)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122052754
2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 51105702
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 47076609
(3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120212
ethyl 1-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylate
CID 126834546
4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 55835475
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide
CID 64824534

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid (CID 81118704) is (3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid is COCCn1cc(NC(=O)N2CCC[C@H](C(=O)O)C2)cn1.
What is the InChIKey of (3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is VZRVPNXWSYLVER-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N4O4/c1-21-6-5-17-9-11(7-14-17)15-13(20)16-4-2-3-10(8-16)12(18)19/h7,9-10H,2-6,8H2,1H3,(H,15,20)(H,18,19)/t10-/m0/s1.
What are the key properties of (3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81118704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).