N-cyclopentyl-N-(pyridin-4-ylmethyl)morpholine-4-carboxamide

C16H23N3O2 — CID 3789130

IUPACN-cyclopentyl-N-(pyridin-4-ylmethyl)morpholine-4-carboxamide
SMILESO=C(N1CCOCC1)N(Cc1ccncc1)C1CCCC1
InChIInChI=1S/C16H23N3O2/c20-16(18-9-11-21-12-10-18)19(15-3-1-2-4-15)13-14-5-7-17-8-6-14/h5-8,15H,1-4,9-13H2
InChIKeySHMBVXQUWSLKTC-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.28
Rot. Bonds3

About N-cyclopentyl-N-(pyridin-4-ylmethyl)morpholine-4-carboxamide

N-cyclopentyl-N-(pyridin-4-ylmethyl)morpholine-4-carboxamide (PubChem CID 3789130) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-cyclopentyl-N-(pyridin-4-ylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(pyridin-4-ylmethyl)morpholine-4-carboxamide
PubChem CID3789130
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-cyclopentyl-N-(pyridin-4-ylmethyl)morpholine-4-carboxamide
SMILESO=C(N1CCOCC1)N(Cc1ccncc1)C1CCCC1
InChIInChI=1S/C16H23N3O2/c20-16(18-9-11-21-12-10-18)19(15-3-1-2-4-15)13-14-5-7-17-8-6-14/h5-8,15H,1-4,9-13H2
InChIKeySHMBVXQUWSLKTC-UHFFFAOYSA-N
XLogP2.28
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-[[1-(morpholine-4-carbonyl)pyridin-1-ium-4-yl]methyl]morpholine-4-carboxamide chloride
CID 44667930
N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869747
3-[cyclopropyl(pyridin-4-ylmethyl)amino]-3-oxopropanoic acid
CID 62230754
N-cyclopentyl-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
CID 3224906
1-cyclohexyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-1-(pyridin-4-ylmethyl)urea
CID 125441499
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 134051350
2-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]acetic acid
CID 60826593
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890
N-ethyl-3-(oxane-4-carbonyl)-N-(pyridin-4-ylmethyl)-3-azabicyclo[3.3.1]nonane-9-carboxamide
CID 171675756
N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide
CID 56896686
[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66988562
N-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide
CID 174663762

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(pyridin-4-ylmethyl)morpholine-4-carboxamide?
The IUPAC name of N-cyclopentyl-N-(pyridin-4-ylmethyl)morpholine-4-carboxamide (CID 3789130) is N-cyclopentyl-N-(pyridin-4-ylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-(pyridin-4-ylmethyl)morpholine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-N-(pyridin-4-ylmethyl)morpholine-4-carboxamide is O=C(N1CCOCC1)N(Cc1ccncc1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(pyridin-4-ylmethyl)morpholine-4-carboxamide?
The InChIKey is SHMBVXQUWSLKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-16(18-9-11-21-12-10-18)19(15-3-1-2-4-15)13-14-5-7-17-8-6-14/h5-8,15H,1-4,9-13H2.
What are the key properties of N-cyclopentyl-N-(pyridin-4-ylmethyl)morpholine-4-carboxamide?
N-cyclopentyl-N-(pyridin-4-ylmethyl)morpholine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(pyridin-4-ylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 3789130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).