N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide

C21H33N3O2 — CID 110622688

IUPACN-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCC1(N2CCOCC2)CCN(C)CC1)c1ccccc1
InChIInChI=1S/C21H33N3O2/c1-18(19-6-4-3-5-7-19)16-20(25)22-17-21(8-10-23(2)11-9-21)24-12-14-26-15-13-24/h3-7,18H,8-17H2,1-2H3,(H,22,25)
InChIKeyHCNDGRYINTVSDO-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.09
Rot. Bonds6

About N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide

N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide (PubChem CID 110622688) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide
PubChem CID110622688
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCC1(N2CCOCC2)CCN(C)CC1)c1ccccc1
InChIInChI=1S/C21H33N3O2/c1-18(19-6-4-3-5-7-19)16-20(25)22-17-21(8-10-23(2)11-9-21)24-12-14-26-15-13-24/h3-7,18H,8-17H2,1-2H3,(H,22,25)
InChIKeyHCNDGRYINTVSDO-UHFFFAOYSA-N
XLogP2.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide
CID 112505032
(E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide
CID 110303397
3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 119953909
3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide
CID 110303417
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]pentanamide
CID 112505002
N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 4801976
N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
CID 110626464
3-(3-fluorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide
CID 110622703
2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide
CID 112505047
2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 8641191
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate
CID 55475345
(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 26008683

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide?
The IUPAC name of N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide (CID 110622688) is N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide.
What is the SMILES notation for N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide?
The canonical SMILES for N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide is CC(CC(=O)NCC1(N2CCOCC2)CCN(C)CC1)c1ccccc1.
What is the InChIKey of N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide?
The InChIKey is HCNDGRYINTVSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-18(19-6-4-3-5-7-19)16-20(25)22-17-21(8-10-23(2)11-9-21)24-12-14-26-15-13-24/h3-7,18H,8-17H2,1-2H3,(H,22,25).
What are the key properties of N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide?
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide has a molecular weight of 359.51 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide is sourced from PubChem (CID 110622688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).