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

C16H18N4O — CID 57180178

IUPACN-piperidin-4-yl-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-3-carboxamide
SMILESO=C(NC1CCNCC1)C1=C2C=CC=C3C=CC=C(N1)N32
InChIInChI=1S/C16H18N4O/c21-16(18-11-7-9-17-10-8-11)15-13-5-1-3-12-4-2-6-14(19-15)20(12)13/h1-6,11,17,19H,7-10H2,(H,18,21)
InChIKeyRBBKMBQSBWPBOB-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.84
Rot. Bonds2

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

N-piperidin-4-yl-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-3-carboxamide (PubChem CID 57180178) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-piperidin-4-yl-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-3-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-3-carboxamide
PubChem CID57180178
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-piperidin-4-yl-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-3-carboxamide
SMILESO=C(NC1CCNCC1)C1=C2C=CC=C3C=CC=C(N1)N32
InChIInChI=1S/C16H18N4O/c21-16(18-11-7-9-17-10-8-11)15-13-5-1-3-12-4-2-6-14(19-15)20(12)13/h1-6,11,17,19H,7-10H2,(H,18,21)
InChIKeyRBBKMBQSBWPBOB-UHFFFAOYSA-N
XLogP0.84
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-3-carboxamide?
The IUPAC name of N-piperidin-4-yl-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-3-carboxamide (CID 57180178) is N-piperidin-4-yl-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-3-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-3-carboxamide?
The canonical SMILES for N-piperidin-4-yl-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-3-carboxamide is O=C(NC1CCNCC1)C1=C2C=CC=C3C=CC=C(N1)N32.
What is the InChIKey of N-piperidin-4-yl-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-3-carboxamide?
The InChIKey is RBBKMBQSBWPBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(18-11-7-9-17-10-8-11)15-13-5-1-3-12-4-2-6-14(19-15)20(12)13/h1-6,11,17,19H,7-10H2,(H,18,21).
What are the key properties of N-piperidin-4-yl-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-3-carboxamide?
N-piperidin-4-yl-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-3-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-3-carboxamide is sourced from PubChem (CID 57180178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).