N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide

C21H33N3O2 — CID 119847367

IUPACN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCc1cccc(CN2CCOCC2)c1)C1CCCNC1
InChIInChI=1S/C21H33N3O2/c1-17(20-6-3-7-22-15-20)12-21(25)23-14-18-4-2-5-19(13-18)16-24-8-10-26-11-9-24/h2,4-5,13,17,20,22H,3,6-12,14-16H2,1H3,(H,23,25)
InChIKeyMPJIHUZQKHDRRK-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.16
Rot. Bonds7

About N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide

N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide (PubChem CID 119847367) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide
PubChem CID119847367
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCc1cccc(CN2CCOCC2)c1)C1CCCNC1
InChIInChI=1S/C21H33N3O2/c1-17(20-6-3-7-22-15-20)12-21(25)23-14-18-4-2-5-19(13-18)16-24-8-10-26-11-9-24/h2,4-5,13,17,20,22H,3,6-12,14-16H2,1H3,(H,23,25)
InChIKeyMPJIHUZQKHDRRK-UHFFFAOYSA-N
XLogP2.16
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119847444
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119867437
N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 119864188
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide
CID 81043564
3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119847390
3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide
CID 119719799
3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731383
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119827786
N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119803049
N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide
CID 119869012
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119847394
1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide
CID 119853096

Frequently Asked Questions

What is the IUPAC name of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide (CID 119847367) is N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NCc1cccc(CN2CCOCC2)c1)C1CCCNC1.
What is the InChIKey of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide?
The InChIKey is MPJIHUZQKHDRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-17(20-6-3-7-22-15-20)12-21(25)23-14-18-4-2-5-19(13-18)16-24-8-10-26-11-9-24/h2,4-5,13,17,20,22H,3,6-12,14-16H2,1H3,(H,23,25).
What are the key properties of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide?
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide has a molecular weight of 359.51 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119847367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).