N-[2-(dimethylamino)ethyl]-N-methyl-3-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide

C25H36N4O2 — CID 45224659

IUPACN-[2-(dimethylamino)ethyl]-N-methyl-3-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide
SMILESCC(Cc1ccccn1)N1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1
InChIInChI=1S/C25H36N4O2/c1-20(18-22-9-5-6-13-26-22)29-14-11-23(12-15-29)31-24-10-7-8-21(19-24)25(30)28(4)17-16-27(2)3/h5-10,13,19-20,23H,11-12,14-18H2,1-4H3
InChIKeyKXBWRXQYZPZZIH-UHFFFAOYSA-N
MW424.59 g/mol
LogP3.19
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-N-methyl-3-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide

N-[2-(dimethylamino)ethyl]-N-methyl-3-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide (PubChem CID 45224659) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-methyl-3-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-methyl-3-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide
PubChem CID45224659
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC NameN-[2-(dimethylamino)ethyl]-N-methyl-3-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide
SMILESCC(Cc1ccccn1)N1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1
InChIInChI=1S/C25H36N4O2/c1-20(18-22-9-5-6-13-26-22)29-14-11-23(12-15-29)31-24-10-7-8-21(19-24)25(30)28(4)17-16-27(2)3/h5-10,13,19-20,23H,11-12,14-18H2,1-4H3
InChIKeyKXBWRXQYZPZZIH-UHFFFAOYSA-N
XLogP3.19
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-methyl-3-[1-[(2S)-5-methylhex-5-en-2-yl]piperidin-4-yl]oxybenzamide
CID 42195820
[3-[1-[(2S)-1-(5-methyl-2-pyridinyl)propan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42197832
N-(pyridin-2-ylmethyl)-4-[1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide
CID 42515899
piperidin-1-yl-[2-[1-[(2S)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxyphenyl]methanone
CID 26395074
3-chloro-N-(2-methoxyethyl)-4-[1-[(2R)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxybenzamide
CID 25299524
3-chloro-N-(2-methoxyethyl)-4-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide
CID 45216288
[3-[1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25307703
N-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxybenzamide
CID 23723255
2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid
CID 119171827
3-(1-pyrazin-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
CID 72889997
2-(2-pyrrolidin-1-ylpropyl)pyridine
CID 90965469
N-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide
CID 69061667

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-3-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-3-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide (CID 45224659) is N-[2-(dimethylamino)ethyl]-N-methyl-3-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-methyl-3-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-methyl-3-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide is CC(Cc1ccccn1)N1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-methyl-3-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide?
The InChIKey is KXBWRXQYZPZZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-20(18-22-9-5-6-13-26-22)29-14-11-23(12-15-29)31-24-10-7-8-21(19-24)25(30)28(4)17-16-27(2)3/h5-10,13,19-20,23H,11-12,14-18H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-methyl-3-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide?
N-[2-(dimethylamino)ethyl]-N-methyl-3-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide has a molecular weight of 424.59 g/mol, XLogP of 3.19, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-methyl-3-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 45224659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).