1-[1-[1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide

C17H26N6O2 — CID 128976128

IUPAC1-[1-[1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(C2CCCN(C(C)C(=O)N(C)CCC#N)C2)n1
InChIInChI=1S/C17H26N6O2/c1-13(17(25)21(3)9-5-8-18)22-10-4-6-14(12-22)23-11-7-15(20-23)16(24)19-2/h7,11,13-14H,4-6,9-10,12H2,1-3H3,(H,19,24)
InChIKeyTWAJAASRZBSSJV-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.64
Rot. Bonds6

About 1-[1-[1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide

1-[1-[1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide (PubChem CID 128976128) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 1-[1-[1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[1-[1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
PubChem CID128976128
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name1-[1-[1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(C2CCCN(C(C)C(=O)N(C)CCC#N)C2)n1
InChIInChI=1S/C17H26N6O2/c1-13(17(25)21(3)9-5-8-18)22-10-4-6-14(12-22)23-11-7-15(20-23)16(24)19-2/h7,11,13-14H,4-6,9-10,12H2,1-3H3,(H,19,24)
InChIKeyTWAJAASRZBSSJV-UHFFFAOYSA-N
XLogP0.64
TPSA94.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
N-methyl-3-(1-piperidinylcarbonyl)-1H-pyrazole-1-carboxamide
CID 874546
N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
CID 55276477
N-[(1-cyclopentyl-3-piperidinyl)methyl]-1-methyl-N-[2-(1-piperidinyl)ethyl]-1H-pyrazole-5-carboxamide
CID 24819489
1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 17144219
2-[3-(4-Methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19623349
(4-Methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 39891793
1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide
CID 91920116
2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one
CID 110257092

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[1-[1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide (CID 128976128) is 1-[1-[1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[1-[1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[1-[1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(C2CCCN(C(C)C(=O)N(C)CCC#N)C2)n1.
What is the InChIKey of 1-[1-[1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The InChIKey is TWAJAASRZBSSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-13(17(25)21(3)9-5-8-18)22-10-4-6-14(12-22)23-11-7-15(20-23)16(24)19-2/h7,11,13-14H,4-6,9-10,12H2,1-3H3,(H,19,24).
What are the key properties of 1-[1-[1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
1-[1-[1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 128976128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).