4-(oxolan-2-ylmethoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

C18H27ClN2O3 — CID 119461774

IUPAC4-(oxolan-2-ylmethoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C18H26N2O3.ClH/c21-18(20-12-14-3-1-9-19-11-14)15-5-7-16(8-6-15)23-13-17-4-2-10-22-17;/h5-8,14,17,19H,1-4,9-13H2,(H,20,21);1H
InChIKeyDRUFXANBVSVKLW-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.40
Rot. Bonds6

About 4-(oxolan-2-ylmethoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

4-(oxolan-2-ylmethoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119461774) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID119461774
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name4-(oxolan-2-ylmethoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C18H26N2O3.ClH/c21-18(20-12-14-3-1-9-19-11-14)15-5-7-16(8-6-15)23-13-17-4-2-10-22-17;/h5-8,14,17,19H,1-4,9-13H2,(H,20,21);1H
InChIKeyDRUFXANBVSVKLW-UHFFFAOYSA-N
XLogP2.40
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-pentoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119463502
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 51153011
2-(oxolan-2-ylmethoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119462659
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide
CID 51099333
4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119463375
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 38211752

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 4-(oxolan-2-ylmethoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (CID 119461774) is 4-(oxolan-2-ylmethoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is Cl.O=C(NCC1CCCNC1)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is DRUFXANBVSVKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c21-18(20-12-14-3-1-9-19-11-14)15-5-7-16(8-6-15)23-13-17-4-2-10-22-17;/h5-8,14,17,19H,1-4,9-13H2,(H,20,21);1H.
What are the key properties of 4-(oxolan-2-ylmethoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
4-(oxolan-2-ylmethoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119461774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).