1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-carboxamide

C22H33N5O2 — CID 56871840

IUPAC1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCC2)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C22H33N5O2/c28-21(23-13-20-18-4-1-5-19(18)24-25-20)16-3-2-10-27(14-16)17-8-11-26(12-9-17)22(29)15-6-7-15/h15-17H,1-14H2,(H,23,28)(H,24,25)
InChIKeyXEESADNFQHGBFC-UHFFFAOYSA-N
MW399.54 g/mol
LogP1.63
Rot. Bonds5

About 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-carboxamide

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 56871840) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-carboxamide
PubChem CID56871840
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCC2)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C22H33N5O2/c28-21(23-13-20-18-4-1-5-19(18)24-25-20)16-3-2-10-27(14-16)17-8-11-26(12-9-17)22(29)15-6-7-15/h15-17H,1-14H2,(H,23,28)(H,24,25)
InChIKeyXEESADNFQHGBFC-UHFFFAOYSA-N
XLogP1.63
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-carboxamide (CID 56871840) is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-carboxamide is O=C(NCc1n[nH]c2c1CCC2)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is XEESADNFQHGBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c28-21(23-13-20-18-4-1-5-19(18)24-25-20)16-3-2-10-27(14-16)17-8-11-26(12-9-17)22(29)15-6-7-15/h15-17H,1-14H2,(H,23,28)(H,24,25).
What are the key properties of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-carboxamide?
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56871840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).