1-(1,3-benzoxazol-2-yl)-N-[3-(1-phenylethoxy)propyl]piperidine-4-carboxamide

C24H29N3O3 — CID 24654958

IUPAC1-(1,3-benzoxazol-2-yl)-N-[3-(1-phenylethoxy)propyl]piperidine-4-carboxamide
SMILESCC(OCCCNC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1
InChIInChI=1S/C24H29N3O3/c1-18(19-8-3-2-4-9-19)29-17-7-14-25-23(28)20-12-15-27(16-13-20)24-26-21-10-5-6-11-22(21)30-24/h2-6,8-11,18,20H,7,12-17H2,1H3,(H,25,28)
InChIKeyACOXJNKYNVXNCA-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.33
Rot. Bonds8

About 1-(1,3-benzoxazol-2-yl)-N-[3-(1-phenylethoxy)propyl]piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-[3-(1-phenylethoxy)propyl]piperidine-4-carboxamide (PubChem CID 24654958) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-[3-(1-phenylethoxy)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-[3-(1-phenylethoxy)propyl]piperidine-4-carboxamide
PubChem CID24654958
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-[3-(1-phenylethoxy)propyl]piperidine-4-carboxamide
SMILESCC(OCCCNC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1
InChIInChI=1S/C24H29N3O3/c1-18(19-8-3-2-4-9-19)29-17-7-14-25-23(28)20-12-15-27(16-13-20)24-26-21-10-5-6-11-22(21)30-24/h2-6,8-11,18,20H,7,12-17H2,1H3,(H,25,28)
InChIKeyACOXJNKYNVXNCA-UHFFFAOYSA-N
XLogP4.33
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide
CID 15993683
1-(1,3-benzoxazol-2-yl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 24607473
1-(1,3-benzoxazol-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 17456772
1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide
CID 24584539
1-(1,3-benzoxazol-2-yl)-N-[2-(cycloheptylamino)ethyl]piperidine-4-carboxamide
CID 119620972
1-(1,3-benzoxazol-2-yl)-N-(2-benzylsulfanylethyl)piperidine-4-carboxamide
CID 24606825
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
methyl 3-[[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidine-4-carbonyl]amino]propanoate
CID 42311490
1-(1,3-benzoxazol-2-yl)-N-(3-ethoxypropyl)piperidine-3-carboxamide
CID 3654131
2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119169865
(2S)-2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119359710
1-(1,3-benzoxazol-2-yl)-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide
CID 16602272

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[3-(1-phenylethoxy)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[3-(1-phenylethoxy)propyl]piperidine-4-carboxamide (CID 24654958) is 1-(1,3-benzoxazol-2-yl)-N-[3-(1-phenylethoxy)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-[3-(1-phenylethoxy)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-[3-(1-phenylethoxy)propyl]piperidine-4-carboxamide is CC(OCCCNC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-[3-(1-phenylethoxy)propyl]piperidine-4-carboxamide?
The InChIKey is ACOXJNKYNVXNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-18(19-8-3-2-4-9-19)29-17-7-14-25-23(28)20-12-15-27(16-13-20)24-26-21-10-5-6-11-22(21)30-24/h2-6,8-11,18,20H,7,12-17H2,1H3,(H,25,28).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-[3-(1-phenylethoxy)propyl]piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-[3-(1-phenylethoxy)propyl]piperidine-4-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-[3-(1-phenylethoxy)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 24654958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).