1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide

C19H27N4O3+ — CID 4082568

IUPAC1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCC[NH+]1CCOCC1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C19H26N4O3/c24-18(20-7-10-22-11-13-25-14-12-22)15-5-8-23(9-6-15)19-21-16-3-1-2-4-17(16)26-19/h1-4,15H,5-14H2,(H,20,24)/p+1
InChIKeyBBDPKDCDSQRFRW-UHFFFAOYSA-O
MW359.45 g/mol
LogP0.08
Rot. Bonds5

About 1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide (PubChem CID 4082568) has the molecular formula C19H27N4O3+ and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide
PubChem CID4082568
Molecular FormulaC19H27N4O3+
Molecular Weight359.45 g/mol
Exact Mass359.21
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCC[NH+]1CCOCC1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C19H26N4O3/c24-18(20-7-10-22-11-13-25-14-12-22)15-5-8-23(9-6-15)19-21-16-3-1-2-4-17(16)26-19/h1-4,15H,5-14H2,(H,20,24)/p+1
InChIKeyBBDPKDCDSQRFRW-UHFFFAOYSA-O
XLogP0.08
TPSA72.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(cycloheptylamino)ethyl]piperidine-4-carboxamide
CID 119620972
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-(1,3-benzoxazol-2-yl)-N-(2-benzylsulfanylethyl)piperidine-4-carboxamide
CID 24606825
1-(1,3-benzoxazol-2-yl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 24607473
1-(1,3-benzoxazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18145860
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-(2,2-diphenylpropyl)piperidine-4-carboxamide
CID 24584539
1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
CID 26021668
1-(1,3-benzoxazol-2-yl)-N-[3-(1-phenylethoxy)propyl]piperidine-4-carboxamide
CID 24654958
1-(1,3-benzoxazol-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 32605823
1-(1,3-benzoxazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide
CID 16594880

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide (CID 4082568) is 1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide is O=C(NCC[NH+]1CCOCC1)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is BBDPKDCDSQRFRW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H26N4O3/c24-18(20-7-10-22-11-13-25-14-12-22)15-5-8-23(9-6-15)19-21-16-3-1-2-4-17(16)26-19/h1-4,15H,5-14H2,(H,20,24)/p+1.
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 4082568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).