(2S)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide

C18H32N4O2 — CID 95342782

IUPAC(2S)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)[C@H](C)N1CCCC[C@@H]1Cn1nc(C)cc1C
InChIInChI=1S/C18H32N4O2/c1-14-12-15(2)22(20-14)13-17-8-5-6-10-21(17)16(3)18(23)19-9-7-11-24-4/h12,16-17H,5-11,13H2,1-4H3,(H,19,23)/t16-,17+/m0/s1
InChIKeyBHRVDHQXPDGTIA-DLBZAZTESA-N
MW336.48 g/mol
LogP1.90
Rot. Bonds8

About (2S)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide

(2S)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide (PubChem CID 95342782) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is (2S)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide
PubChem CID95342782
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name(2S)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)[C@H](C)N1CCCC[C@@H]1Cn1nc(C)cc1C
InChIInChI=1S/C18H32N4O2/c1-14-12-15(2)22(20-14)13-17-8-5-6-10-21(17)16(3)18(23)19-9-7-11-24-4/h12,16-17H,5-11,13H2,1-4H3,(H,19,23)/t16-,17+/m0/s1
InChIKeyBHRVDHQXPDGTIA-DLBZAZTESA-N
XLogP1.90
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 129446607
2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 63758968
2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 63759350
2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 63852938
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 56780552
1-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 95609700
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 63760320
(2S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 95602974
2-[2-(aminomethyl)azepan-1-yl]-N-butylpropanamide
CID 116640561
(2R)-2-[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 129461213
2-(tert-butylamino)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95766721
1-(3-cyclohexyloxypropyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 86993142

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide?
The IUPAC name of (2S)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide (CID 95342782) is (2S)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for (2S)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for (2S)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)[C@H](C)N1CCCC[C@@H]1Cn1nc(C)cc1C.
What is the InChIKey of (2S)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide?
The InChIKey is BHRVDHQXPDGTIA-DLBZAZTESA-N. The full InChI is InChI=1S/C18H32N4O2/c1-14-12-15(2)22(20-14)13-17-8-5-6-10-21(17)16(3)18(23)19-9-7-11-24-4/h12,16-17H,5-11,13H2,1-4H3,(H,19,23)/t16-,17+/m0/s1.
What are the key properties of (2S)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide?
(2S)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide has a molecular weight of 336.48 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 95342782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).