N,N-dimethyl-1,4-bis[3-(4-methylpyrazol-1-yl)propanoyl]piperazine-2-carboxamide

C21H31N7O3 — CID 71852909

IUPACN,N-dimethyl-1,4-bis[3-(4-methylpyrazol-1-yl)propanoyl]piperazine-2-carboxamide
SMILESCc1cnn(CCC(=O)N2CCN(C(=O)CCn3cc(C)cn3)C(C(=O)N(C)C)C2)c1
InChIInChI=1S/C21H31N7O3/c1-16-11-22-26(13-16)7-5-19(29)25-9-10-28(18(15-25)21(31)24(3)4)20(30)6-8-27-14-17(2)12-23-27/h11-14,18H,5-10,15H2,1-4H3
InChIKeyUNYRUNLFFUVIJM-UHFFFAOYSA-N
MW429.53 g/mol
LogP0.30
Rot. Bonds7

About N,N-dimethyl-1,4-bis[3-(4-methylpyrazol-1-yl)propanoyl]piperazine-2-carboxamide

N,N-dimethyl-1,4-bis[3-(4-methylpyrazol-1-yl)propanoyl]piperazine-2-carboxamide (PubChem CID 71852909) has the molecular formula C21H31N7O3 and a molecular weight of 429.53 g/mol. Its IUPAC name is N,N-dimethyl-1,4-bis[3-(4-methylpyrazol-1-yl)propanoyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1,4-bis[3-(4-methylpyrazol-1-yl)propanoyl]piperazine-2-carboxamide
PubChem CID71852909
Molecular FormulaC21H31N7O3
Molecular Weight429.53 g/mol
Exact Mass429.25
IUPAC NameN,N-dimethyl-1,4-bis[3-(4-methylpyrazol-1-yl)propanoyl]piperazine-2-carboxamide
SMILESCc1cnn(CCC(=O)N2CCN(C(=O)CCn3cc(C)cn3)C(C(=O)N(C)C)C2)c1
InChIInChI=1S/C21H31N7O3/c1-16-11-22-26(13-16)7-5-19(29)25-9-10-28(18(15-25)21(31)24(3)4)20(30)6-8-27-14-17(2)12-23-27/h11-14,18H,5-10,15H2,1-4H3
InChIKeyUNYRUNLFFUVIJM-UHFFFAOYSA-N
XLogP0.30
TPSA96.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methylpyrazol-1-yl)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95289673
1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 71986153
1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 95340012
(2R)-N-tert-butyl-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidine-2-carboxamide
CID 95620266
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 167761680
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 56798114
1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 95346856
1-acetyl-N,N-dimethyl-4-[4-(2-methylimidazol-1-yl)butanoyl]piperazine-2-carboxamide
CID 110086119
1-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 56817622
1-[(3S,4R)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 133118740
1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 87040560
1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 136525112

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,4-bis[3-(4-methylpyrazol-1-yl)propanoyl]piperazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1,4-bis[3-(4-methylpyrazol-1-yl)propanoyl]piperazine-2-carboxamide (CID 71852909) is N,N-dimethyl-1,4-bis[3-(4-methylpyrazol-1-yl)propanoyl]piperazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1,4-bis[3-(4-methylpyrazol-1-yl)propanoyl]piperazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1,4-bis[3-(4-methylpyrazol-1-yl)propanoyl]piperazine-2-carboxamide is Cc1cnn(CCC(=O)N2CCN(C(=O)CCn3cc(C)cn3)C(C(=O)N(C)C)C2)c1.
What is the InChIKey of N,N-dimethyl-1,4-bis[3-(4-methylpyrazol-1-yl)propanoyl]piperazine-2-carboxamide?
The InChIKey is UNYRUNLFFUVIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7O3/c1-16-11-22-26(13-16)7-5-19(29)25-9-10-28(18(15-25)21(31)24(3)4)20(30)6-8-27-14-17(2)12-23-27/h11-14,18H,5-10,15H2,1-4H3.
What are the key properties of N,N-dimethyl-1,4-bis[3-(4-methylpyrazol-1-yl)propanoyl]piperazine-2-carboxamide?
N,N-dimethyl-1,4-bis[3-(4-methylpyrazol-1-yl)propanoyl]piperazine-2-carboxamide has a molecular weight of 429.53 g/mol, XLogP of 0.30, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,4-bis[3-(4-methylpyrazol-1-yl)propanoyl]piperazine-2-carboxamide is sourced from PubChem (CID 71852909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).