1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide

C18H23N3O2 — CID 51096615

IUPAC1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cccc(CN3CCOCC3)c2)CCCC1
InChIInChI=1S/C18H23N3O2/c19-14-18(6-1-2-7-18)17(22)20-16-5-3-4-15(12-16)13-21-8-10-23-11-9-21/h3-5,12H,1-2,6-11,13H2,(H,20,22)
InChIKeyKJCYUORCTUNAJA-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.54
Rot. Bonds4

About 1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide

1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 51096615) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide
PubChem CID51096615
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cccc(CN3CCOCC3)c2)CCCC1
InChIInChI=1S/C18H23N3O2/c19-14-18(6-1-2-7-18)17(22)20-16-5-3-4-15(12-16)13-21-8-10-23-11-9-21/h3-5,12H,1-2,6-11,13H2,(H,20,22)
InChIKeyKJCYUORCTUNAJA-UHFFFAOYSA-N
XLogP2.54
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(3-ethylphenyl)cyclohexane-1-carboxamide
CID 61458989
[3-(morpholin-4-ylmethyl)phenyl]thiourea
CID 97033783
3-[(1-cyanocyclopentanecarbonyl)amino]benzamide
CID 51246637
1-[[3-(morpholin-4-ylmethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167914916
1-cyano-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 55021433
1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 122134935
1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119869772
2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid
CID 119224839
1-cyano-N-[3-(1,3-dithian-2-yl)phenyl]cyclopentane-1-carboxamide
CID 39629590
1-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 51224356
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
cis-(1R,2S)-N-[3-(morpholin-4-ylmethyl)phenyl]-2-phenylcyclopropane-1-carboxamide
CID 51699063

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide (CID 51096615) is 1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide is N#CC1(C(=O)Nc2cccc(CN3CCOCC3)c2)CCCC1.
What is the InChIKey of 1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is KJCYUORCTUNAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c19-14-18(6-1-2-7-18)17(22)20-16-5-3-4-15(12-16)13-21-8-10-23-11-9-21/h3-5,12H,1-2,6-11,13H2,(H,20,22).
What are the key properties of 1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide?
1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 51096615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).