N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-(4-methylphenoxy)piperidine-4-carboxamide

C19H26N4O3 — CID 95127349

IUPACN-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-(4-methylphenoxy)piperidine-4-carboxamide
SMILESCC[C@@H](NC(=O)C1(Oc2ccc(C)cc2)CCNCC1)c1nc(C)no1
InChIInChI=1S/C19H26N4O3/c1-4-16(17-21-14(3)23-26-17)22-18(24)19(9-11-20-12-10-19)25-15-7-5-13(2)6-8-15/h5-8,16,20H,4,9-12H2,1-3H3,(H,22,24)/t16-/m1/s1
InChIKeyPPNHGJNRCWGVKN-MRXNPFEDSA-N
MW358.44 g/mol
LogP2.45
Rot. Bonds6

About N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-(4-methylphenoxy)piperidine-4-carboxamide

N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-(4-methylphenoxy)piperidine-4-carboxamide (PubChem CID 95127349) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-(4-methylphenoxy)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-(4-methylphenoxy)piperidine-4-carboxamide
PubChem CID95127349
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-(4-methylphenoxy)piperidine-4-carboxamide
SMILESCC[C@@H](NC(=O)C1(Oc2ccc(C)cc2)CCNCC1)c1nc(C)no1
InChIInChI=1S/C19H26N4O3/c1-4-16(17-21-14(3)23-26-17)22-18(24)19(9-11-20-12-10-19)25-15-7-5-13(2)6-8-15/h5-8,16,20H,4,9-12H2,1-3H3,(H,22,24)/t16-/m1/s1
InChIKeyPPNHGJNRCWGVKN-MRXNPFEDSA-N
XLogP2.45
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-(4-methylphenoxy)piperidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-(4-methylphenoxy)piperidine-4-carboxamide (CID 95127349) is N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-(4-methylphenoxy)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-(4-methylphenoxy)piperidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-(4-methylphenoxy)piperidine-4-carboxamide is CC[C@@H](NC(=O)C1(Oc2ccc(C)cc2)CCNCC1)c1nc(C)no1.
What is the InChIKey of N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-(4-methylphenoxy)piperidine-4-carboxamide?
The InChIKey is PPNHGJNRCWGVKN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-4-16(17-21-14(3)23-26-17)22-18(24)19(9-11-20-12-10-19)25-15-7-5-13(2)6-8-15/h5-8,16,20H,4,9-12H2,1-3H3,(H,22,24)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-(4-methylphenoxy)piperidine-4-carboxamide?
N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-(4-methylphenoxy)piperidine-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-(4-methylphenoxy)piperidine-4-carboxamide is sourced from PubChem (CID 95127349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).