(2R)-N-[(2R)-2-(diethylamino)propyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide

C17H31N5O2 — CID 97099387

IUPAC(2R)-N-[(2R)-2-(diethylamino)propyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCCN(CC)[C@H](C)CNC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1
InChIInChI=1S/C17H31N5O2/c1-6-21(7-2)14(3)10-18-16(23)22-8-9-24-17(4,13-22)15-11-19-20(5)12-15/h11-12,14H,6-10,13H2,1-5H3,(H,18,23)/t14-,17+/m1/s1
InChIKeyIUGFEPOKGMJMII-PBHICJAKSA-N
MW337.47 g/mol
LogP1.41
Rot. Bonds6

About (2R)-N-[(2R)-2-(diethylamino)propyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide

(2R)-N-[(2R)-2-(diethylamino)propyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide (PubChem CID 97099387) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-(diethylamino)propyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-(diethylamino)propyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
PubChem CID97099387
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC Name(2R)-N-[(2R)-2-(diethylamino)propyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCCN(CC)[C@H](C)CNC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1
InChIInChI=1S/C17H31N5O2/c1-6-21(7-2)14(3)10-18-16(23)22-8-9-24-17(4,13-22)15-11-19-20(5)12-15/h11-12,14H,6-10,13H2,1-5H3,(H,18,23)/t14-,17+/m1/s1
InChIKeyIUGFEPOKGMJMII-PBHICJAKSA-N
XLogP1.41
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide
CID 97074651
N-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
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N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
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CID 71969911
N-(1-cyclobutylpyrazol-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 136564392
[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-pyrrolo[1,2-c]pyrimidin-3-ylmethanone
CID 136564566
3-amino-2-methyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119900547
3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]benzoic acid
CID 120552183
[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;dihydrochloride
CID 120942831
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
CID 97090713
3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one
CID 120982966
6-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-(diethylamino)propyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
The IUPAC name of (2R)-N-[(2R)-2-(diethylamino)propyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide (CID 97099387) is (2R)-N-[(2R)-2-(diethylamino)propyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[(2R)-2-(diethylamino)propyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[(2R)-2-(diethylamino)propyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide is CCN(CC)[C@H](C)CNC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1.
What is the InChIKey of (2R)-N-[(2R)-2-(diethylamino)propyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
The InChIKey is IUGFEPOKGMJMII-PBHICJAKSA-N. The full InChI is InChI=1S/C17H31N5O2/c1-6-21(7-2)14(3)10-18-16(23)22-8-9-24-17(4,13-22)15-11-19-20(5)12-15/h11-12,14H,6-10,13H2,1-5H3,(H,18,23)/t14-,17+/m1/s1.
What are the key properties of (2R)-N-[(2R)-2-(diethylamino)propyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
(2R)-N-[(2R)-2-(diethylamino)propyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-(diethylamino)propyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 97099387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).