N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide

C19H31N5O2 — CID 56881515

IUPACN-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N(Cc1cnn(C)c1)C1CC1
InChIInChI=1S/C19H31N5O2/c1-14(2)6-8-23-9-7-20-19(26)17(23)10-18(25)24(16-4-5-16)13-15-11-21-22(3)12-15/h11-12,14,16-17H,4-10,13H2,1-3H3,(H,20,26)
InChIKeyTWPBGTCNASYAPO-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.15
Rot. Bonds8

About N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide

N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 56881515) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID56881515
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N(Cc1cnn(C)c1)C1CC1
InChIInChI=1S/C19H31N5O2/c1-14(2)6-8-23-9-7-20-19(26)17(23)10-18(25)24(16-4-5-16)13-15-11-21-22(3)12-15/h11-12,14,16-17H,4-10,13H2,1-3H3,(H,20,26)
InChIKeyTWPBGTCNASYAPO-UHFFFAOYSA-N
XLogP1.15
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide (CID 56881515) is N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide is CC(C)CCN1CCNC(=O)C1CC(=O)N(Cc1cnn(C)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is TWPBGTCNASYAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-14(2)6-8-23-9-7-20-19(26)17(23)10-18(25)24(16-4-5-16)13-15-11-21-22(3)12-15/h11-12,14,16-17H,4-10,13H2,1-3H3,(H,20,26).
What are the key properties of N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 56881515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).