N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide

C18H23N3O2 — CID 110679108

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide
SMILESCC1CCN(c2ccc(NC(=O)CCc3cocn3)cc2)CC1
InChIInChI=1S/C18H23N3O2/c1-14-8-10-21(11-9-14)17-5-2-15(3-6-17)20-18(22)7-4-16-12-23-13-19-16/h2-3,5-6,12-14H,4,7-11H2,1H3,(H,20,22)
InChIKeySNRQELHPYUUUTA-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.48
Rot. Bonds5

About N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide (PubChem CID 110679108) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide
PubChem CID110679108
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide
SMILESCC1CCN(c2ccc(NC(=O)CCc3cocn3)cc2)CC1
InChIInChI=1S/C18H23N3O2/c1-14-8-10-21(11-9-14)17-5-2-15(3-6-17)20-18(22)7-4-16-12-23-13-19-16/h2-3,5-6,12-14H,4,7-11H2,1H3,(H,20,22)
InChIKeySNRQELHPYUUUTA-UHFFFAOYSA-N
XLogP3.48
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide
CID 110679110
3-imidazo[1,5-a]pyridin-3-yl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 110675073
5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
CID 43346973
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-(3-methylpyrrolidin-1-yl)-4-oxobutanamide
CID 86897059
3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113136398
3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56556229
3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 109032069
3-(2-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56556359
2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 17447356
3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60600910
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 16601007
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 110390327

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide (CID 110679108) is N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide is CC1CCN(c2ccc(NC(=O)CCc3cocn3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide?
The InChIKey is SNRQELHPYUUUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-8-10-21(11-9-14)17-5-2-15(3-6-17)20-18(22)7-4-16-12-23-13-19-16/h2-3,5-6,12-14H,4,7-11H2,1H3,(H,20,22).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide has a molecular weight of 313.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide is sourced from PubChem (CID 110679108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).