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

C16H31N3O2 — CID 112505002

IUPACN-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]pentanamide
SMILESCCCCC(=O)NCC1(N2CCOCC2)CCN(C)CC1
InChIInChI=1S/C16H31N3O2/c1-3-4-5-15(20)17-14-16(6-8-18(2)9-7-16)19-10-12-21-13-11-19/h3-14H2,1-2H3,(H,17,20)
InChIKeyNJIWCTNVLSFIJN-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.09
Rot. Bonds6

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

N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]pentanamide (PubChem CID 112505002) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]pentanamide
PubChem CID112505002
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]pentanamide
SMILESCCCCC(=O)NCC1(N2CCOCC2)CCN(C)CC1
InChIInChI=1S/C16H31N3O2/c1-3-4-5-15(20)17-14-16(6-8-18(2)9-7-16)19-10-12-21-13-11-19/h3-14H2,1-2H3,(H,17,20)
InChIKeyNJIWCTNVLSFIJN-UHFFFAOYSA-N
XLogP1.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-morpholin-4-ylcyclohexyl)methyl]octanamide
CID 134015029
2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide
CID 112505032
3-(3-fluorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide
CID 110622703
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide
CID 110622688
2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide
CID 112505047
(E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide
CID 110303397
2-[butyl-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]amino]acetamide
CID 55700066
3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505026
3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
CID 78789271
2-methyl-1-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111497225
3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505015
2-ethoxy-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]acetamide
CID 71998960

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]pentanamide?
The IUPAC name of N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]pentanamide (CID 112505002) is N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]pentanamide.
What is the SMILES notation for N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]pentanamide?
The canonical SMILES for N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]pentanamide is CCCCC(=O)NCC1(N2CCOCC2)CCN(C)CC1.
What is the InChIKey of N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]pentanamide?
The InChIKey is NJIWCTNVLSFIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-3-4-5-15(20)17-14-16(6-8-18(2)9-7-16)19-10-12-21-13-11-19/h3-14H2,1-2H3,(H,17,20).
What are the key properties of N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]pentanamide?
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]pentanamide has a molecular weight of 297.44 g/mol, XLogP of 1.09, 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]pentanamide is sourced from PubChem (CID 112505002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).