N-methyl-1-propan-2-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-4-carboxamide

C17H28N4O — CID 50979810

IUPACN-methyl-1-propan-2-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)N(C)Cc2n[nH]c3c2CCC3)CC1
InChIInChI=1S/C17H28N4O/c1-12(2)21-9-7-13(8-10-21)17(22)20(3)11-16-14-5-4-6-15(14)18-19-16/h12-13H,4-11H2,1-3H3,(H,18,19)
InChIKeyIPFJWFHTHPOATO-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.98
Rot. Bonds4

About N-methyl-1-propan-2-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-4-carboxamide

N-methyl-1-propan-2-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 50979810) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-4-carboxamide
PubChem CID50979810
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-methyl-1-propan-2-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)N(C)Cc2n[nH]c3c2CCC3)CC1
InChIInChI=1S/C17H28N4O/c1-12(2)21-9-7-13(8-10-21)17(22)20(3)11-16-14-5-4-6-15(14)18-19-16/h12-13H,4-11H2,1-3H3,(H,18,19)
InChIKeyIPFJWFHTHPOATO-UHFFFAOYSA-N
XLogP1.98
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-propan-2-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-4-carboxamide (CID 50979810) is N-methyl-1-propan-2-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-propan-2-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-propan-2-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-4-carboxamide is CC(C)N1CCC(C(=O)N(C)Cc2n[nH]c3c2CCC3)CC1.
What is the InChIKey of N-methyl-1-propan-2-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is IPFJWFHTHPOATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-12(2)21-9-7-13(8-10-21)17(22)20(3)11-16-14-5-4-6-15(14)18-19-16/h12-13H,4-11H2,1-3H3,(H,18,19).
What are the key properties of N-methyl-1-propan-2-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-4-carboxamide?
N-methyl-1-propan-2-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 50979810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).