N-(1-methylpyrazol-3-yl)-2-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]acetamide

C21H34N6O2 — CID 56868277

IUPACN-(1-methylpyrazol-3-yl)-2-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]acetamide
SMILESCn1ccc(NC(=O)CN2CCC(N3CCCC(C(=O)N4CCCC4)C3)CC2)n1
InChIInChI=1S/C21H34N6O2/c1-24-12-8-19(23-24)22-20(28)16-25-13-6-18(7-14-25)27-11-4-5-17(15-27)21(29)26-9-2-3-10-26/h8,12,17-18H,2-7,9-11,13-16H2,1H3,(H,22,23,28)
InChIKeyREBLHTIWMPZENS-UHFFFAOYSA-N
MW402.54 g/mol
LogP1.16
Rot. Bonds5

About N-(1-methylpyrazol-3-yl)-2-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]acetamide

N-(1-methylpyrazol-3-yl)-2-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]acetamide (PubChem CID 56868277) has the molecular formula C21H34N6O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]acetamide
PubChem CID56868277
Molecular FormulaC21H34N6O2
Molecular Weight402.54 g/mol
Exact Mass402.27
IUPAC NameN-(1-methylpyrazol-3-yl)-2-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]acetamide
SMILESCn1ccc(NC(=O)CN2CCC(N3CCCC(C(=O)N4CCCC4)C3)CC2)n1
InChIInChI=1S/C21H34N6O2/c1-24-12-8-19(23-24)22-20(28)16-25-13-6-18(7-14-25)27-11-4-5-17(15-27)21(29)26-9-2-3-10-26/h8,12,17-18H,2-7,9-11,13-16H2,1H3,(H,22,23,28)
InChIKeyREBLHTIWMPZENS-UHFFFAOYSA-N
XLogP1.16
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]acetamide (CID 56868277) is N-(1-methylpyrazol-3-yl)-2-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]acetamide is Cn1ccc(NC(=O)CN2CCC(N3CCCC(C(=O)N4CCCC4)C3)CC2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]acetamide?
The InChIKey is REBLHTIWMPZENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O2/c1-24-12-8-19(23-24)22-20(28)16-25-13-6-18(7-14-25)27-11-4-5-17(15-27)21(29)26-9-2-3-10-26/h8,12,17-18H,2-7,9-11,13-16H2,1H3,(H,22,23,28).
What are the key properties of N-(1-methylpyrazol-3-yl)-2-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]acetamide?
N-(1-methylpyrazol-3-yl)-2-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]acetamide has a molecular weight of 402.54 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 56868277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).