N-[(3-chlorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide

C19H22ClN3O3 — CID 72855910

IUPACN-[(3-chlorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C(=O)c2cnco2)CC1)NCc1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O3/c20-16-3-1-2-15(10-16)11-22-18(24)5-4-14-6-8-23(9-7-14)19(25)17-12-21-13-26-17/h1-3,10,12-14H,4-9,11H2,(H,22,24)
InChIKeyAKDZRBBFUUPNKJ-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.28
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide

N-[(3-chlorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide (PubChem CID 72855910) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
PubChem CID72855910
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC NameN-[(3-chlorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C(=O)c2cnco2)CC1)NCc1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O3/c20-16-3-1-2-15(10-16)11-22-18(24)5-4-14-6-8-23(9-7-14)19(25)17-12-21-13-26-17/h1-3,10,12-14H,4-9,11H2,(H,22,24)
InChIKeyAKDZRBBFUUPNKJ-UHFFFAOYSA-N
XLogP3.28
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide (CID 72855910) is N-[(3-chlorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide is O=C(CCC1CCN(C(=O)c2cnco2)CC1)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is AKDZRBBFUUPNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c20-16-3-1-2-15(10-16)11-22-18(24)5-4-14-6-8-23(9-7-14)19(25)17-12-21-13-26-17/h1-3,10,12-14H,4-9,11H2,(H,22,24).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide?
N-[(3-chlorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 375.86 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 72855910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).