4-(1,3-benzoxazol-2-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-1-carboxamide

C22H26N4O2 — CID 126447658

IUPAC4-(1,3-benzoxazol-2-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-1-carboxamide
SMILESCc1cccnc1C[C@H](C)NC(=O)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C22H26N4O2/c1-15-6-5-11-23-19(15)14-16(2)24-22(27)26-12-9-17(10-13-26)21-25-18-7-3-4-8-20(18)28-21/h3-8,11,16-17H,9-10,12-14H2,1-2H3,(H,24,27)/t16-/m0/s1
InChIKeyJNTAGBMHGALZSY-INIZCTEOSA-N
MW378.48 g/mol
LogP4.05
Rot. Bonds4

About 4-(1,3-benzoxazol-2-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-1-carboxamide

4-(1,3-benzoxazol-2-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 126447658) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-1-carboxamide
PubChem CID126447658
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name4-(1,3-benzoxazol-2-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-1-carboxamide
SMILESCc1cccnc1C[C@H](C)NC(=O)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C22H26N4O2/c1-15-6-5-11-23-19(15)14-16(2)24-22(27)26-12-9-17(10-13-26)21-25-18-7-3-4-8-20(18)28-21/h3-8,11,16-17H,9-10,12-14H2,1-2H3,(H,24,27)/t16-/m0/s1
InChIKeyJNTAGBMHGALZSY-INIZCTEOSA-N
XLogP4.05
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,3-benzoxazol-2-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-1-carboxamide with MolForge

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Related Compounds

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CID 71458
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3-ethoxy-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]benzamide
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(2R)-2-phenyl-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]propanamide
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CID 770461
2-(2-fluorobenzyl)-N-[2-(2-pyridinyl)ethyl]-1,3-benzoxazole-6-carboxamide
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CID 44399530
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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-1-carboxamide (CID 126447658) is 4-(1,3-benzoxazol-2-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-1-carboxamide is Cc1cccnc1C[C@H](C)NC(=O)N1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is JNTAGBMHGALZSY-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-6-5-11-23-19(15)14-16(2)24-22(27)26-12-9-17(10-13-26)21-25-18-7-3-4-8-20(18)28-21/h3-8,11,16-17H,9-10,12-14H2,1-2H3,(H,24,27)/t16-/m0/s1.
What are the key properties of 4-(1,3-benzoxazol-2-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-1-carboxamide?
4-(1,3-benzoxazol-2-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 126447658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).