2-[3-(methylamino)piperidin-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

C21H34N4O2 — CID 119919543

IUPAC2-[3-(methylamino)piperidin-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESCNC1CCCN(C(C)C(=O)NCc2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C21H34N4O2/c1-17(25-9-3-4-20(16-25)22-2)21(26)23-14-18-5-7-19(8-6-18)15-24-10-12-27-13-11-24/h5-8,17,20,22H,3-4,9-16H2,1-2H3,(H,23,26)
InChIKeyIOYDHMINKBWFBC-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.21
Rot. Bonds7

About 2-[3-(methylamino)piperidin-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

2-[3-(methylamino)piperidin-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (PubChem CID 119919543) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
PubChem CID119919543
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESCNC1CCCN(C(C)C(=O)NCc2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C21H34N4O2/c1-17(25-9-3-4-20(16-25)22-2)21(26)23-14-18-5-7-19(8-6-18)15-24-10-12-27-13-11-24/h5-8,17,20,22H,3-4,9-16H2,1-2H3,(H,23,26)
InChIKeyIOYDHMINKBWFBC-UHFFFAOYSA-N
XLogP1.21
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(methylamino)piperidin-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide with MolForge

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Related Compounds

N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918549
ethyl N-[1-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-3-yl]carbamate
CID 86993293
1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 17456252
2-[3-(methylamino)piperidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 119919788
(2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275580
4-[[2-(6-cyclobutyl-1,4-oxazepan-4-yl)propanoylamino]methyl]benzoic acid
CID 136550801
N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide
CID 55086301
2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 51127553
(2R)-2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 52522894
2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 86918572
1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917296
2-(4-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133206073

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (CID 119919543) is 2-[3-(methylamino)piperidin-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is CNC1CCCN(C(C)C(=O)NCc2ccc(CN3CCOCC3)cc2)C1.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is IOYDHMINKBWFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-17(25-9-3-4-20(16-25)22-2)21(26)23-14-18-5-7-19(8-6-18)15-24-10-12-27-13-11-24/h5-8,17,20,22H,3-4,9-16H2,1-2H3,(H,23,26).
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
2-[3-(methylamino)piperidin-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 374.53 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 119919543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).