N-(cyclopropylmethyl)-1-(4,5,6,7-tetrahydro-1H-indazole-7-carbonyl)piperidine-3-carboxamide

C18H26N4O2 — CID 75432171

IUPACN-(cyclopropylmethyl)-1-(4,5,6,7-tetrahydro-1H-indazole-7-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(C(=O)C2CCCc3cn[nH]c32)C1
InChIInChI=1S/C18H26N4O2/c23-17(19-9-12-6-7-12)14-4-2-8-22(11-14)18(24)15-5-1-3-13-10-20-21-16(13)15/h10,12,14-15H,1-9,11H2,(H,19,23)(H,20,21)
InChIKeyKNLVHWAYEUCCCZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.59
Rot. Bonds4

About N-(cyclopropylmethyl)-1-(4,5,6,7-tetrahydro-1H-indazole-7-carbonyl)piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-(4,5,6,7-tetrahydro-1H-indazole-7-carbonyl)piperidine-3-carboxamide (PubChem CID 75432171) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4,5,6,7-tetrahydro-1H-indazole-7-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4,5,6,7-tetrahydro-1H-indazole-7-carbonyl)piperidine-3-carboxamide
PubChem CID75432171
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-(cyclopropylmethyl)-1-(4,5,6,7-tetrahydro-1H-indazole-7-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(C(=O)C2CCCc3cn[nH]c32)C1
InChIInChI=1S/C18H26N4O2/c23-17(19-9-12-6-7-12)14-4-2-8-22(11-14)18(24)15-5-1-3-13-10-20-21-16(13)15/h10,12,14-15H,1-9,11H2,(H,19,23)(H,20,21)
InChIKeyKNLVHWAYEUCCCZ-UHFFFAOYSA-N
XLogP1.59
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4,5,6,7-tetrahydro-1H-indazole-7-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(4,5,6,7-tetrahydro-1H-indazole-7-carbonyl)piperidine-3-carboxamide (CID 75432171) is N-(cyclopropylmethyl)-1-(4,5,6,7-tetrahydro-1H-indazole-7-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4,5,6,7-tetrahydro-1H-indazole-7-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4,5,6,7-tetrahydro-1H-indazole-7-carbonyl)piperidine-3-carboxamide is O=C(NCC1CC1)C1CCCN(C(=O)C2CCCc3cn[nH]c32)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4,5,6,7-tetrahydro-1H-indazole-7-carbonyl)piperidine-3-carboxamide?
The InChIKey is KNLVHWAYEUCCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-17(19-9-12-6-7-12)14-4-2-8-22(11-14)18(24)15-5-1-3-13-10-20-21-16(13)15/h10,12,14-15H,1-9,11H2,(H,19,23)(H,20,21).
What are the key properties of N-(cyclopropylmethyl)-1-(4,5,6,7-tetrahydro-1H-indazole-7-carbonyl)piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-(4,5,6,7-tetrahydro-1H-indazole-7-carbonyl)piperidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4,5,6,7-tetrahydro-1H-indazole-7-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 75432171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).