N-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C22H25N5O — CID 55721169

IUPACN-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C22H25N5O/c28-21(25-16-8-12-27(13-9-16)22-23-10-3-11-24-22)15-6-7-20-18(14-15)17-4-1-2-5-19(17)26-20/h3,6-7,10-11,14,16,26H,1-2,4-5,8-9,12-13H2,(H,25,28)
InChIKeyPFYASLQHPNUSAR-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.24
Rot. Bonds3

About N-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 55721169) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID55721169
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C22H25N5O/c28-21(25-16-8-12-27(13-9-16)22-23-10-3-11-24-22)15-6-7-20-18(14-15)17-4-1-2-5-19(17)26-20/h3,6-7,10-11,14,16,26H,1-2,4-5,8-9,12-13H2,(H,25,28)
InChIKeyPFYASLQHPNUSAR-UHFFFAOYSA-N
XLogP3.24
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 55721169) is N-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is O=C(NC1CCN(c2ncccn2)CC1)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is PFYASLQHPNUSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c28-21(25-16-8-12-27(13-9-16)22-23-10-3-11-24-22)15-6-7-20-18(14-15)17-4-1-2-5-19(17)26-20/h3,6-7,10-11,14,16,26H,1-2,4-5,8-9,12-13H2,(H,25,28).
What are the key properties of N-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 55721169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).