N-(2-chlorophenyl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide

C20H27ClN4O — CID 26392286

IUPACN-(2-chlorophenyl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
SMILESCCn1cc(CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)cn1
InChIInChI=1S/C20H27ClN4O/c1-2-25-15-17(13-22-25)14-24-11-9-16(10-12-24)7-8-20(26)23-19-6-4-3-5-18(19)21/h3-6,13,15-16H,2,7-12,14H2,1H3,(H,23,26)
InChIKeyUARFVHIUZUKAMJ-UHFFFAOYSA-N
MW374.92 g/mol
LogP4.19
Rot. Bonds7

About N-(2-chlorophenyl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide

N-(2-chlorophenyl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide (PubChem CID 26392286) has the molecular formula C20H27ClN4O and a molecular weight of 374.92 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
PubChem CID26392286
Molecular FormulaC20H27ClN4O
Molecular Weight374.92 g/mol
Exact Mass374.19
IUPAC NameN-(2-chlorophenyl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
SMILESCCn1cc(CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)cn1
InChIInChI=1S/C20H27ClN4O/c1-2-25-15-17(13-22-25)14-24-11-9-16(10-12-24)7-8-20(26)23-19-6-4-3-5-18(19)21/h3-6,13,15-16H,2,7-12,14H2,1H3,(H,23,26)
InChIKeyUARFVHIUZUKAMJ-UHFFFAOYSA-N
XLogP4.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide (CID 26392286) is N-(2-chlorophenyl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide is CCn1cc(CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)cn1.
What is the InChIKey of N-(2-chlorophenyl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide?
The InChIKey is UARFVHIUZUKAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O/c1-2-25-15-17(13-22-25)14-24-11-9-16(10-12-24)7-8-20(26)23-19-6-4-3-5-18(19)21/h3-6,13,15-16H,2,7-12,14H2,1H3,(H,23,26).
What are the key properties of N-(2-chlorophenyl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide?
N-(2-chlorophenyl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide has a molecular weight of 374.92 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 26392286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).