N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide

C19H30N4O3 — CID 72907470

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(C(=O)N(C)Cc2n[nH]c3c2CCCCC3)CC1
InChIInChI=1S/C19H30N4O3/c1-22(12-17-15-6-4-3-5-7-16(15)20-21-17)19(25)14-8-10-23(11-9-14)18(24)13-26-2/h14H,3-13H2,1-2H3,(H,20,21)
InChIKeyIKQKGBFOSGFHEG-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.52
Rot. Bonds5

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide (PubChem CID 72907470) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide
PubChem CID72907470
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(C(=O)N(C)Cc2n[nH]c3c2CCCCC3)CC1
InChIInChI=1S/C19H30N4O3/c1-22(12-17-15-6-4-3-5-7-16(15)20-21-17)19(25)14-8-10-23(11-9-14)18(24)13-26-2/h14H,3-13H2,1-2H3,(H,20,21)
InChIKeyIKQKGBFOSGFHEG-UHFFFAOYSA-N
XLogP1.52
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide (CID 72907470) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide is COCC(=O)N1CCC(C(=O)N(C)Cc2n[nH]c3c2CCCCC3)CC1.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is IKQKGBFOSGFHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-22(12-17-15-6-4-3-5-7-16(15)20-21-17)19(25)14-8-10-23(11-9-14)18(24)13-26-2/h14H,3-13H2,1-2H3,(H,20,21).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 72907470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).