N-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide

C18H28N4O — CID 128635077

IUPACN-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
SMILESCn1cc(C2CCN(C(=O)NC(C3CCC3)C3CC3)CC2)cn1
InChIInChI=1S/C18H28N4O/c1-21-12-16(11-19-21)13-7-9-22(10-8-13)18(23)20-17(15-5-6-15)14-3-2-4-14/h11-15,17H,2-10H2,1H3,(H,20,23)
InChIKeyGXYJDWBIVBLECK-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.89
Rot. Bonds4

About N-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide

N-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 128635077) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
PubChem CID128635077
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
SMILESCn1cc(C2CCN(C(=O)NC(C3CCC3)C3CC3)CC2)cn1
InChIInChI=1S/C18H28N4O/c1-21-12-16(11-19-21)13-7-9-22(10-8-13)18(23)20-17(15-5-6-15)14-3-2-4-14/h11-15,17H,2-10H2,1H3,(H,20,23)
InChIKeyGXYJDWBIVBLECK-UHFFFAOYSA-N
XLogP2.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dicyclopropylmethyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95318433
N-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 128633676
N-(dicyclopropylmethyl)-4-methylpiperidine-1-carboxamide
CID 113224116
N-(3-bromo-4-pyridinyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 136521848
2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-N-(1-methylsulfinylpropan-2-yl)-2-oxoacetamide
CID 167756837
1-methyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]pyridin-2-one
CID 127339699
N'-methyl-3-(1-methylpyrazol-4-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboximidamide
CID 119143792
3-(1-methylpyrazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
CID 136530406
(3S)-N-(4-acetyl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124568170
3-(1-methylpyrazol-4-yl)-N-[1-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide
CID 136564061
N-[(5-cyclobutyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
CID 167918114
(3S)-N-(2-methyl-6-methylsulfanylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124617751

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide (CID 128635077) is N-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide is Cn1cc(C2CCN(C(=O)NC(C3CCC3)C3CC3)CC2)cn1.
What is the InChIKey of N-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is GXYJDWBIVBLECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-21-12-16(11-19-21)13-7-9-22(10-8-13)18(23)20-17(15-5-6-15)14-3-2-4-14/h11-15,17H,2-10H2,1H3,(H,20,23).
What are the key properties of N-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide?
N-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 128635077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).