N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide

C17H25N7O — CID 126429294

IUPACN-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCC(C)n1cnnc1[C@@H](C)NC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H25N7O/c1-13(2)24-12-19-21-16(24)14(3)20-17(25)23-10-8-22(9-11-23)15-4-6-18-7-5-15/h4-7,12-14H,8-11H2,1-3H3,(H,20,25)/t14-/m1/s1
InChIKeyAKLQNMRTKXOLMZ-CQSZACIVSA-N
MW343.44 g/mol
LogP1.85
Rot. Bonds4

About N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide

N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 126429294) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID126429294
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC NameN-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCC(C)n1cnnc1[C@@H](C)NC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H25N7O/c1-13(2)24-12-19-21-16(24)14(3)20-17(25)23-10-8-22(9-11-23)15-4-6-18-7-5-15/h4-7,12-14H,8-11H2,1-3H3,(H,20,25)/t14-/m1/s1
InChIKeyAKLQNMRTKXOLMZ-CQSZACIVSA-N
XLogP1.85
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-(4-methoxyphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
CID 95126891
4-(4-methoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
CID 95126890
4-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
CID 60595616
N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 94119889
1,3-dimethyl-2,4-dioxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 122564907
N-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 122562374
N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperazine-1-carboxamide
CID 124843892
4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
CID 33433718
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 126433181
4-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 97089842
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide
CID 94119922

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide (CID 126429294) is N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide is CC(C)n1cnnc1[C@@H](C)NC(=O)N1CCN(c2ccncc2)CC1.
What is the InChIKey of N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is AKLQNMRTKXOLMZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N7O/c1-13(2)24-12-19-21-16(24)14(3)20-17(25)23-10-8-22(9-11-23)15-4-6-18-7-5-15/h4-7,12-14H,8-11H2,1-3H3,(H,20,25)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 343.44 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 126429294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).