N-ethyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide

C21H30N4O3 — CID 86809339

IUPACN-ethyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCCNC(=O)N1C2CCC(C2)C1C(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C21H30N4O3/c1-3-22-21(27)25-16-9-8-15(14-16)19(25)20(26)24-12-10-23(11-13-24)17-6-4-5-7-18(17)28-2/h4-7,15-16,19H,3,8-14H2,1-2H3,(H,22,27)
InChIKeyBNZVSHUSEVUTLL-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.93
Rot. Bonds4

About N-ethyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide

N-ethyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 86809339) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-ethyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID86809339
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-ethyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCCNC(=O)N1C2CCC(C2)C1C(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C21H30N4O3/c1-3-22-21(27)25-16-9-8-15(14-16)19(25)20(26)24-12-10-23(11-13-24)17-6-4-5-7-18(17)28-2/h4-7,15-16,19H,3,8-14H2,1-2H3,(H,22,27)
InChIKeyBNZVSHUSEVUTLL-UHFFFAOYSA-N
XLogP1.93
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,3S,4S)-N-cyclohexyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 98136415
(1R,2S,3S,4R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 18557519
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide
CID 109144318
N-ethyl-4-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 841458
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
(1S,3S,4S)-2-N-ethyl-3-N-phenyl-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 124868392
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053707
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109131658
2-[[ethylamino-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111133838
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
N-cyclohexyl-2-[[ethylamino-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 111133058

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-ethyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide (CID 86809339) is N-ethyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-ethyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-ethyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide is CCNC(=O)N1C2CCC(C2)C1C(=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of N-ethyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is BNZVSHUSEVUTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-3-22-21(27)25-16-9-8-15(14-16)19(25)20(26)24-12-10-23(11-13-24)17-6-4-5-7-18(17)28-2/h4-7,15-16,19H,3,8-14H2,1-2H3,(H,22,27).
What are the key properties of N-ethyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?
N-ethyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 86809339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).