(2R)-2-(4-methylpiperazin-1-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide

C16H29N5O — CID 125166787

IUPAC(2R)-2-(4-methylpiperazin-1-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
SMILESCc1nn(CCNC(=O)[C@@H](C)N2CCN(C)CC2)c(C)c1C
InChIInChI=1S/C16H29N5O/c1-12-13(2)18-21(14(12)3)7-6-17-16(22)15(4)20-10-8-19(5)9-11-20/h15H,6-11H2,1-5H3,(H,17,22)/t15-/m1/s1
InChIKeyNHLDKQAHCAGAOY-OAHLLOKOSA-N
MW307.44 g/mol
LogP0.56
Rot. Bonds5

About (2R)-2-(4-methylpiperazin-1-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide

(2R)-2-(4-methylpiperazin-1-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide (PubChem CID 125166787) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is (2R)-2-(4-methylpiperazin-1-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylpiperazin-1-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
PubChem CID125166787
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name(2R)-2-(4-methylpiperazin-1-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
SMILESCc1nn(CCNC(=O)[C@@H](C)N2CCN(C)CC2)c(C)c1C
InChIInChI=1S/C16H29N5O/c1-12-13(2)18-21(14(12)3)7-6-17-16(22)15(4)20-10-8-19(5)9-11-20/h15H,6-11H2,1-5H3,(H,17,22)/t15-/m1/s1
InChIKeyNHLDKQAHCAGAOY-OAHLLOKOSA-N
XLogP0.56
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 110716730
3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide
CID 110716795
(2S)-N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 126446137
N-(1,5-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)propanamide
CID 134698028
(2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide
CID 125129943
3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 110716798
2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716759
2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716746
2-(oxolan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 131925877
2-(4-propan-2-ylmorpholin-2-yl)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide
CID 131900926
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 121499949
2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 110716769

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylpiperazin-1-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-(4-methylpiperazin-1-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide (CID 125166787) is (2R)-2-(4-methylpiperazin-1-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(4-methylpiperazin-1-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(4-methylpiperazin-1-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide is Cc1nn(CCNC(=O)[C@@H](C)N2CCN(C)CC2)c(C)c1C.
What is the InChIKey of (2R)-2-(4-methylpiperazin-1-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide?
The InChIKey is NHLDKQAHCAGAOY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H29N5O/c1-12-13(2)18-21(14(12)3)7-6-17-16(22)15(4)20-10-8-19(5)9-11-20/h15H,6-11H2,1-5H3,(H,17,22)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-methylpiperazin-1-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide?
(2R)-2-(4-methylpiperazin-1-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide has a molecular weight of 307.44 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylpiperazin-1-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 125166787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).