(2S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C16H29N5O2 — CID 95314829

IUPAC(2S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCO[C@H](CN(C)C)C1
InChIInChI=1S/C16H29N5O2/c1-11-15(12(2)20(6)18-11)17-16(22)13(3)21-7-8-23-14(10-21)9-19(4)5/h13-14H,7-10H2,1-6H3,(H,17,22)/t13-,14+/m0/s1
InChIKeyXKINAPNVCBZSFL-UONOGXRCSA-N
MW323.44 g/mol
LogP0.63
Rot. Bonds5

About (2S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 95314829) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (2S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID95314829
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name(2S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCO[C@H](CN(C)C)C1
InChIInChI=1S/C16H29N5O2/c1-11-15(12(2)20(6)18-11)17-16(22)13(3)21-7-8-23-14(10-21)9-19(4)5/h13-14H,7-10H2,1-6H3,(H,17,22)/t13-,14+/m0/s1
InChIKeyXKINAPNVCBZSFL-UONOGXRCSA-N
XLogP0.63
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 100843135
(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide
CID 95329138
2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 87022044
(2S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 100843920
2-[3-(methanesulfonamido)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47055392
(2R)-N-cyclohexyl-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-ethylpropanamide
CID 95346765
2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17395059
(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95301579
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120772361
2-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 110446396
N-butyl-1-[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidine-4-carboxamide
CID 86984110
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 120759067

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 95314829) is (2S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCO[C@H](CN(C)C)C1.
What is the InChIKey of (2S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is XKINAPNVCBZSFL-UONOGXRCSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-11-15(12(2)20(6)18-11)17-16(22)13(3)21-7-8-23-14(10-21)9-19(4)5/h13-14H,7-10H2,1-6H3,(H,17,22)/t13-,14+/m0/s1.
What are the key properties of (2S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 323.44 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 95314829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).