2-piperidin-1-yl-N-[6-[(2-piperidin-1-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide

C32H37N9O2 — CID 70694279

IUPAC2-piperidin-1-yl-N-[6-[(2-piperidin-1-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide
SMILESO=C(CN1CCCCC1)Nc1cc(-n2cccn2)c2[nH]c3c(-n4cccn4)cc(NC(=O)CN4CCCCC4)cc3c2c1
InChIInChI=1S/C32H37N9O2/c42-29(21-38-11-3-1-4-12-38)35-23-17-25-26-18-24(36-30(43)22-39-13-5-2-6-14-39)20-28(41-16-8-10-34-41)32(26)37-31(25)27(19-23)40-15-7-9-33-40/h7-10,15-20,37H,1-6,11-14,21-22H2,(H,35,42)(H,36,43)
InChIKeySFKZFNONWZZMHR-UHFFFAOYSA-N
MW579.71 g/mol
LogP4.54
Rot. Bonds8

About 2-piperidin-1-yl-N-[6-[(2-piperidin-1-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide

2-piperidin-1-yl-N-[6-[(2-piperidin-1-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide (PubChem CID 70694279) has the molecular formula C32H37N9O2 and a molecular weight of 579.71 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-[6-[(2-piperidin-1-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide.

Molecular Properties

Compound Name2-piperidin-1-yl-N-[6-[(2-piperidin-1-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide
PubChem CID70694279
Molecular FormulaC32H37N9O2
Molecular Weight579.71 g/mol
Exact Mass579.31
IUPAC Name2-piperidin-1-yl-N-[6-[(2-piperidin-1-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide
SMILESO=C(CN1CCCCC1)Nc1cc(-n2cccn2)c2[nH]c3c(-n4cccn4)cc(NC(=O)CN4CCCCC4)cc3c2c1
InChIInChI=1S/C32H37N9O2/c42-29(21-38-11-3-1-4-12-38)35-23-17-25-26-18-24(36-30(43)22-39-13-5-2-6-14-39)20-28(41-16-8-10-34-41)32(26)37-31(25)27(19-23)40-15-7-9-33-40/h7-10,15-20,37H,1-6,11-14,21-22H2,(H,35,42)(H,36,43)
InChIKeySFKZFNONWZZMHR-UHFFFAOYSA-N
XLogP4.54
TPSA116.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.71
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-[6-[(2-piperidin-1-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide?
The IUPAC name of 2-piperidin-1-yl-N-[6-[(2-piperidin-1-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide (CID 70694279) is 2-piperidin-1-yl-N-[6-[(2-piperidin-1-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide.
What is the SMILES notation for 2-piperidin-1-yl-N-[6-[(2-piperidin-1-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide?
The canonical SMILES for 2-piperidin-1-yl-N-[6-[(2-piperidin-1-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide is O=C(CN1CCCCC1)Nc1cc(-n2cccn2)c2[nH]c3c(-n4cccn4)cc(NC(=O)CN4CCCCC4)cc3c2c1.
What is the InChIKey of 2-piperidin-1-yl-N-[6-[(2-piperidin-1-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide?
The InChIKey is SFKZFNONWZZMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N9O2/c42-29(21-38-11-3-1-4-12-38)35-23-17-25-26-18-24(36-30(43)22-39-13-5-2-6-14-39)20-28(41-16-8-10-34-41)32(26)37-31(25)27(19-23)40-15-7-9-33-40/h7-10,15-20,37H,1-6,11-14,21-22H2,(H,35,42)(H,36,43).
What are the key properties of 2-piperidin-1-yl-N-[6-[(2-piperidin-1-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide?
2-piperidin-1-yl-N-[6-[(2-piperidin-1-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide has a molecular weight of 579.71 g/mol, XLogP of 4.54, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-[6-[(2-piperidin-1-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide is sourced from PubChem (CID 70694279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).