4-benzyl-N-(4-cyano-1-methylpiperidin-4-yl)morpholine-2-carboxamide

C19H26N4O2 — CID 71874213

IUPAC4-benzyl-N-(4-cyano-1-methylpiperidin-4-yl)morpholine-2-carboxamide
SMILESCN1CCC(C#N)(NC(=O)C2CN(Cc3ccccc3)CCO2)CC1
InChIInChI=1S/C19H26N4O2/c1-22-9-7-19(15-20,8-10-22)21-18(24)17-14-23(11-12-25-17)13-16-5-3-2-4-6-16/h2-6,17H,7-14H2,1H3,(H,21,24)
InChIKeyMQSIFOQXNYLADN-UHFFFAOYSA-N
MW342.44 g/mol
LogP0.99
Rot. Bonds4

About 4-benzyl-N-(4-cyano-1-methylpiperidin-4-yl)morpholine-2-carboxamide

4-benzyl-N-(4-cyano-1-methylpiperidin-4-yl)morpholine-2-carboxamide (PubChem CID 71874213) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-benzyl-N-(4-cyano-1-methylpiperidin-4-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(4-cyano-1-methylpiperidin-4-yl)morpholine-2-carboxamide
PubChem CID71874213
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-benzyl-N-(4-cyano-1-methylpiperidin-4-yl)morpholine-2-carboxamide
SMILESCN1CCC(C#N)(NC(=O)C2CN(Cc3ccccc3)CCO2)CC1
InChIInChI=1S/C19H26N4O2/c1-22-9-7-19(15-20,8-10-22)21-18(24)17-14-23(11-12-25-17)13-16-5-3-2-4-6-16/h2-6,17H,7-14H2,1H3,(H,21,24)
InChIKeyMQSIFOQXNYLADN-UHFFFAOYSA-N
XLogP0.99
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide
CID 97216021
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
(2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide
CID 95775919
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
4-[[[(2S)-4-benzylmorpholine-2-carbonyl]amino]methyl]benzoic acid
CID 124703916
4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide
CID 58504652
4-benzylmorpholine-2-carbonitrile;[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 157385252
(2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid
CID 120615247
2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089
(2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide
CID 124732140
(2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide
CID 99846749
4-benzyl-N-[1-(furan-2-yl)propan-2-yl]morpholine-2-carboxamide
CID 75373190

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(4-cyano-1-methylpiperidin-4-yl)morpholine-2-carboxamide?
The IUPAC name of 4-benzyl-N-(4-cyano-1-methylpiperidin-4-yl)morpholine-2-carboxamide (CID 71874213) is 4-benzyl-N-(4-cyano-1-methylpiperidin-4-yl)morpholine-2-carboxamide.
What is the SMILES notation for 4-benzyl-N-(4-cyano-1-methylpiperidin-4-yl)morpholine-2-carboxamide?
The canonical SMILES for 4-benzyl-N-(4-cyano-1-methylpiperidin-4-yl)morpholine-2-carboxamide is CN1CCC(C#N)(NC(=O)C2CN(Cc3ccccc3)CCO2)CC1.
What is the InChIKey of 4-benzyl-N-(4-cyano-1-methylpiperidin-4-yl)morpholine-2-carboxamide?
The InChIKey is MQSIFOQXNYLADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22-9-7-19(15-20,8-10-22)21-18(24)17-14-23(11-12-25-17)13-16-5-3-2-4-6-16/h2-6,17H,7-14H2,1H3,(H,21,24).
What are the key properties of 4-benzyl-N-(4-cyano-1-methylpiperidin-4-yl)morpholine-2-carboxamide?
4-benzyl-N-(4-cyano-1-methylpiperidin-4-yl)morpholine-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-cyano-1-methylpiperidin-4-yl)morpholine-2-carboxamide is sourced from PubChem (CID 71874213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).