1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide

C15H25N5O2 — CID 46988868

IUPAC1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)C1CCCN(CC(N)=O)C1
InChIInChI=1S/C15H25N5O2/c1-10-13(11(2)19-18-10)5-6-17-15(22)12-4-3-7-20(8-12)9-14(16)21/h12H,3-9H2,1-2H3,(H2,16,21)(H,17,22)(H,18,19)
InChIKeyKMTXQMYWNVEQSL-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.12
Rot. Bonds6

About 1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide

1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide (PubChem CID 46988868) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
PubChem CID46988868
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)C1CCCN(CC(N)=O)C1
InChIInChI=1S/C15H25N5O2/c1-10-13(11(2)19-18-10)5-6-17-15(22)12-4-3-7-20(8-12)9-14(16)21/h12H,3-9H2,1-2H3,(H2,16,21)(H,17,22)(H,18,19)
InChIKeyKMTXQMYWNVEQSL-UHFFFAOYSA-N
XLogP-0.12
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide (CID 46988868) is 1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide is Cc1n[nH]c(C)c1CCNC(=O)C1CCCN(CC(N)=O)C1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is KMTXQMYWNVEQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-10-13(11(2)19-18-10)5-6-17-15(22)12-4-3-7-20(8-12)9-14(16)21/h12H,3-9H2,1-2H3,(H2,16,21)(H,17,22)(H,18,19).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 307.40 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 46988868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).