(2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide

C17H29N5O2 — CID 129379201

IUPAC(2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide
SMILESCN(CCNC(=O)N1CCO[C@@H](Cn2cccn2)C1)C1CCCC1
InChIInChI=1S/C17H29N5O2/c1-20(15-5-2-3-6-15)10-8-18-17(23)21-11-12-24-16(13-21)14-22-9-4-7-19-22/h4,7,9,15-16H,2-3,5-6,8,10-14H2,1H3,(H,18,23)/t16-/m1/s1
InChIKeyILNRZRGGGSMXMZ-MRXNPFEDSA-N
MW335.45 g/mol
LogP1.17
Rot. Bonds6

About (2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide

(2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide (PubChem CID 129379201) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide
PubChem CID129379201
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name(2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide
SMILESCN(CCNC(=O)N1CCO[C@@H](Cn2cccn2)C1)C1CCCC1
InChIInChI=1S/C17H29N5O2/c1-20(15-5-2-3-6-15)10-8-18-17(23)21-11-12-24-16(13-21)14-22-9-4-7-19-22/h4,7,9,15-16H,2-3,5-6,8,10-14H2,1H3,(H,18,23)/t16-/m1/s1
InChIKeyILNRZRGGGSMXMZ-MRXNPFEDSA-N
XLogP1.17
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122021186
(2R)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 119880996
(2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 119881008
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide
CID 115623615
[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119881013
N-(3-cyclopentylpropyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide
CID 166203151
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide
CID 129341058
[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119881027
N-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95321575
[(2R)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 97134757
N-(2-aminoethyl)-2-ethylmorpholine-4-carboxamide
CID 82506232
3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 119880994

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide (CID 129379201) is (2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide is CN(CCNC(=O)N1CCO[C@@H](Cn2cccn2)C1)C1CCCC1.
What is the InChIKey of (2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide?
The InChIKey is ILNRZRGGGSMXMZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-20(15-5-2-3-6-15)10-8-18-17(23)21-11-12-24-16(13-21)14-22-9-4-7-19-22/h4,7,9,15-16H,2-3,5-6,8,10-14H2,1H3,(H,18,23)/t16-/m1/s1.
What are the key properties of (2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide?
(2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 129379201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).