N-[(1-benzhydrylpiperidin-4-yl)methyl]-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide

C30H30N4O — CID 56997406

IUPACN-[(1-benzhydrylpiperidin-4-yl)methyl]-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide
SMILESO=C(NCC1CCN(C(c2ccccc2)c2ccccc2)CC1)C1=CC2=CNC3=CC=CC(=C1)N23
InChIInChI=1S/C30H30N4O/c35-30(25-18-26-12-7-13-28-31-21-27(19-25)34(26)28)32-20-22-14-16-33(17-15-22)29(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-13,18-19,21-22,29,31H,14-17,20H2,(H,32,35)
InChIKeyQCVBDYDVEMSYMX-UHFFFAOYSA-N
MW462.60 g/mol
LogP4.59
Rot. Bonds6

About N-[(1-benzhydrylpiperidin-4-yl)methyl]-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide

N-[(1-benzhydrylpiperidin-4-yl)methyl]-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide (PubChem CID 56997406) has the molecular formula C30H30N4O and a molecular weight of 462.60 g/mol. Its IUPAC name is N-[(1-benzhydrylpiperidin-4-yl)methyl]-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide.

Molecular Properties

Compound NameN-[(1-benzhydrylpiperidin-4-yl)methyl]-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide
PubChem CID56997406
Molecular FormulaC30H30N4O
Molecular Weight462.60 g/mol
Exact Mass462.24
IUPAC NameN-[(1-benzhydrylpiperidin-4-yl)methyl]-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide
SMILESO=C(NCC1CCN(C(c2ccccc2)c2ccccc2)CC1)C1=CC2=CNC3=CC=CC(=C1)N23
InChIInChI=1S/C30H30N4O/c35-30(25-18-26-12-7-13-28-31-21-27(19-25)34(26)28)32-20-22-14-16-33(17-15-22)29(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-13,18-19,21-22,29,31H,14-17,20H2,(H,32,35)
InChIKeyQCVBDYDVEMSYMX-UHFFFAOYSA-N
XLogP4.59
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-benzhydrylpiperidin-4-yl)methyl]-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide with MolForge

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Related Compounds

N-[[1-[3-(2,3-dimethoxyphenyl)propyl]piperidin-4-yl]methyl]-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide
CID 57045190
N-[(1-benzhydrylpiperidin-4-yl)methyl]-2-[butyl(carbamoyl)amino]benzamide
CID 67763797
1-benzhydryl-3-[(1-benzhydrylpyrrolidin-3-yl)methyl]urea
CID 11294480
N-[(1-benzhydrylpiperidin-4-yl)methyl]-5-(methylamino)-2-nitrobenzamide
CID 67594574
trimethyl 2-[(1-benzhydrylpiperidin-4-yl)methyl]propane-1,1,3-tricarboxylate
CID 156533867
N-[(1-benzhydrylpiperidin-4-yl)methyl]-2-[carbamoyl(heptyl)amino]-5-pyrrolidin-1-ylbenzamide
CID 67594657
2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide
CID 55841833
N-[(1-benzhydrylazetidin-3-yl)methyl]-2-methylbenzamide
CID 71660278
N-[(1-benzhydrylpiperidin-4-yl)methyl]-2-(cyclobutylcarbamoylamino)-5-(dimethylamino)benzamide
CID 67596416
tert-butyl N-[[1-(1-benzhydrylazetidin-3-yl)piperidin-4-yl]methyl]carbamate
CID 91581752
bis(carbon dioxide);dimethyl 3-[(1-benzhydrylpiperidin-4-yl)methyl]-2-methylpentanedioate;dimethyl 2-methyl-3-(piperidin-4-ylmethyl)pentanedioate;methane
CID 159819950
1-[1,3-benzothiazol-2-yl(phenyl)methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 44528942

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzhydrylpiperidin-4-yl)methyl]-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide?
The IUPAC name of N-[(1-benzhydrylpiperidin-4-yl)methyl]-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide (CID 56997406) is N-[(1-benzhydrylpiperidin-4-yl)methyl]-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide.
What is the SMILES notation for N-[(1-benzhydrylpiperidin-4-yl)methyl]-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide?
The canonical SMILES for N-[(1-benzhydrylpiperidin-4-yl)methyl]-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide is O=C(NCC1CCN(C(c2ccccc2)c2ccccc2)CC1)C1=CC2=CNC3=CC=CC(=C1)N23.
What is the InChIKey of N-[(1-benzhydrylpiperidin-4-yl)methyl]-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide?
The InChIKey is QCVBDYDVEMSYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O/c35-30(25-18-26-12-7-13-28-31-21-27(19-25)34(26)28)32-20-22-14-16-33(17-15-22)29(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-13,18-19,21-22,29,31H,14-17,20H2,(H,32,35).
What are the key properties of N-[(1-benzhydrylpiperidin-4-yl)methyl]-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide?
N-[(1-benzhydrylpiperidin-4-yl)methyl]-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide has a molecular weight of 462.60 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzhydrylpiperidin-4-yl)methyl]-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide is sourced from PubChem (CID 56997406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).