N-(5-chloro-2-methoxyphenyl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]propanamide

C21H29ClN4O2 — CID 45210622

IUPACN-(5-chloro-2-methoxyphenyl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]propanamide
SMILESCCn1ccnc1CN1CCCC(CCC(=O)Nc2cc(Cl)ccc2OC)C1
InChIInChI=1S/C21H29ClN4O2/c1-3-26-12-10-23-20(26)15-25-11-4-5-16(14-25)6-9-21(27)24-18-13-17(22)7-8-19(18)28-2/h7-8,10,12-13,16H,3-6,9,11,14-15H2,1-2H3,(H,24,27)
InChIKeySBCKLVMLWQHTQF-UHFFFAOYSA-N
MW404.94 g/mol
LogP4.20
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 45210622) has the molecular formula C21H29ClN4O2 and a molecular weight of 404.94 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]propanamide
PubChem CID45210622
Molecular FormulaC21H29ClN4O2
Molecular Weight404.94 g/mol
Exact Mass404.20
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]propanamide
SMILESCCn1ccnc1CN1CCCC(CCC(=O)Nc2cc(Cl)ccc2OC)C1
InChIInChI=1S/C21H29ClN4O2/c1-3-26-12-10-23-20(26)15-25-11-4-5-16(14-25)6-9-21(27)24-18-13-17(22)7-8-19(18)28-2/h7-8,10,12-13,16H,3-6,9,11,14-15H2,1-2H3,(H,24,27)
InChIKeySBCKLVMLWQHTQF-UHFFFAOYSA-N
XLogP4.20
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.94
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]propanamide (CID 45210622) is N-(5-chloro-2-methoxyphenyl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]propanamide is CCn1ccnc1CN1CCCC(CCC(=O)Nc2cc(Cl)ccc2OC)C1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]propanamide?
The InChIKey is SBCKLVMLWQHTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O2/c1-3-26-12-10-23-20(26)15-25-11-4-5-16(14-25)6-9-21(27)24-18-13-17(22)7-8-19(18)28-2/h7-8,10,12-13,16H,3-6,9,11,14-15H2,1-2H3,(H,24,27).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]propanamide?
N-(5-chloro-2-methoxyphenyl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 404.94 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45210622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).