N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride

C19H26ClN3O2 — CID 119808894

IUPACN-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1coc(-c2cccc(NC(=O)CC(C)C3CCCNC3)c2)n1.Cl
InChIInChI=1S/C19H25N3O2.ClH/c1-13(16-6-4-8-20-11-16)9-18(23)22-17-7-3-5-15(10-17)19-21-14(2)12-24-19;/h3,5,7,10,12-13,16,20H,4,6,8-9,11H2,1-2H3,(H,22,23);1H
InChIKeyRAFIMXZXNDPMBW-UHFFFAOYSA-N
MW363.89 g/mol
LogP4.04
Rot. Bonds5

About N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119808894) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119808894
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC NameN-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1coc(-c2cccc(NC(=O)CC(C)C3CCCNC3)c2)n1.Cl
InChIInChI=1S/C19H25N3O2.ClH/c1-13(16-6-4-8-20-11-16)9-18(23)22-17-7-3-5-15(10-17)19-21-14(2)12-24-19;/h3,5,7,10,12-13,16,20H,4,6,8-9,11H2,1-2H3,(H,22,23);1H
InChIKeyRAFIMXZXNDPMBW-UHFFFAOYSA-N
XLogP4.04
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-[3-(1-methylimidazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119856068
N-[3-(1-methyltetrazol-5-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119699342
3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119870552
3-piperidin-3-yl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]butanamide;hydrochloride
CID 119680960
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743910
3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride
CID 119886951

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119808894) is N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride is Cc1coc(-c2cccc(NC(=O)CC(C)C3CCCNC3)c2)n1.Cl.
What is the InChIKey of N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is RAFIMXZXNDPMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.ClH/c1-13(16-6-4-8-20-11-16)9-18(23)22-17-7-3-5-15(10-17)19-21-14(2)12-24-19;/h3,5,7,10,12-13,16,20H,4,6,8-9,11H2,1-2H3,(H,22,23);1H.
What are the key properties of N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119808894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).