N'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide

C17H28N6 — CID 122096030

IUPACN'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide
SMILESCn1nccc1[C@H]1[C@H](C/N=C(\N)N2CCC2)CCCN1C1CC1
InChIInChI=1S/C17H28N6/c1-21-15(7-8-20-21)16-13(4-2-11-23(16)14-5-6-14)12-19-17(18)22-9-3-10-22/h7-8,13-14,16H,2-6,9-12H2,1H3,(H2,18,19)/t13-,16+/m0/s1
InChIKeyKOEVYOVTOCIYLC-XJKSGUPXSA-N
MW316.45 g/mol
LogP1.36
Rot. Bonds4

About N'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide

N'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide (PubChem CID 122096030) has the molecular formula C17H28N6 and a molecular weight of 316.45 g/mol. Its IUPAC name is N'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide
PubChem CID122096030
Molecular FormulaC17H28N6
Molecular Weight316.45 g/mol
Exact Mass316.24
IUPAC NameN'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide
SMILESCn1nccc1[C@H]1[C@H](C/N=C(\N)N2CCC2)CCCN1C1CC1
InChIInChI=1S/C17H28N6/c1-21-15(7-8-20-21)16-13(4-2-11-23(16)14-5-6-14)12-19-17(18)22-9-3-10-22/h7-8,13-14,16H,2-6,9-12H2,1H3,(H2,18,19)/t13-,16+/m0/s1
InChIKeyKOEVYOVTOCIYLC-XJKSGUPXSA-N
XLogP1.36
TPSA62.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 120972934
1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine
CID 120972925
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide
CID 154756685
4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-3-carboxamide
CID 154795631
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 128981714
N'-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120972854
4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-2-carbonitrile
CID 167892074
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 128981640
N-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine
CID 114554487
N'-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111818173
1-(3-chloro-4-methoxyphenyl)-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 120972946
3-methyl-N'-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]piperidine-1-carboximidamide
CID 122099290

Frequently Asked Questions

What is the IUPAC name of N'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide?
The IUPAC name of N'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide (CID 122096030) is N'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide.
What is the SMILES notation for N'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide?
The canonical SMILES for N'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide is Cn1nccc1[C@H]1[C@H](C/N=C(\N)N2CCC2)CCCN1C1CC1.
What is the InChIKey of N'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide?
The InChIKey is KOEVYOVTOCIYLC-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H28N6/c1-21-15(7-8-20-21)16-13(4-2-11-23(16)14-5-6-14)12-19-17(18)22-9-3-10-22/h7-8,13-14,16H,2-6,9-12H2,1H3,(H2,18,19)/t13-,16+/m0/s1.
What are the key properties of N'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide?
N'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide has a molecular weight of 316.45 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide is sourced from PubChem (CID 122096030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).