N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C22H28N4O2 — CID 24791091

IUPACN-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCOc1ccccc1/C=C/CN1CCC(n2nccc2NC(=O)C2CC2)CC1
InChIInChI=1S/C22H28N4O2/c1-28-20-7-3-2-5-17(20)6-4-14-25-15-11-19(12-16-25)26-21(10-13-23-26)24-22(27)18-8-9-18/h2-7,10,13,18-19H,8-9,11-12,14-16H2,1H3,(H,24,27)/b6-4+
InChIKeyVPGUJLRZGCGIMM-GQCTYLIASA-N
MW380.49 g/mol
LogP3.59
Rot. Bonds7

About N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 24791091) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID24791091
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCOc1ccccc1/C=C/CN1CCC(n2nccc2NC(=O)C2CC2)CC1
InChIInChI=1S/C22H28N4O2/c1-28-20-7-3-2-5-17(20)6-4-14-25-15-11-19(12-16-25)26-21(10-13-23-26)24-22(27)18-8-9-18/h2-7,10,13,18-19H,8-9,11-12,14-16H2,1H3,(H,24,27)/b6-4+
InChIKeyVPGUJLRZGCGIMM-GQCTYLIASA-N
XLogP3.59
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 24791091) is N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is COc1ccccc1/C=C/CN1CCC(n2nccc2NC(=O)C2CC2)CC1.
What is the InChIKey of N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is VPGUJLRZGCGIMM-GQCTYLIASA-N. The full InChI is InChI=1S/C22H28N4O2/c1-28-20-7-3-2-5-17(20)6-4-14-25-15-11-19(12-16-25)26-21(10-13-23-26)24-22(27)18-8-9-18/h2-7,10,13,18-19H,8-9,11-12,14-16H2,1H3,(H,24,27)/b6-4+.
What are the key properties of N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24791091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).