N-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide

C21H32N4O3 — CID 74245672

IUPACN-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESCCC(=O)Nc1cc(NC(=O)N2CCCC(CN3CCOCC3)C2)ccc1C
InChIInChI=1S/C21H32N4O3/c1-3-20(26)23-19-13-18(7-6-16(19)2)22-21(27)25-8-4-5-17(15-25)14-24-9-11-28-12-10-24/h6-7,13,17H,3-5,8-12,14-15H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyVTARIMREACVTBO-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.92
Rot. Bonds5

About N-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide

N-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide (PubChem CID 74245672) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
PubChem CID74245672
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESCCC(=O)Nc1cc(NC(=O)N2CCCC(CN3CCOCC3)C2)ccc1C
InChIInChI=1S/C21H32N4O3/c1-3-20(26)23-19-13-18(7-6-16(19)2)22-21(27)25-8-4-5-17(15-25)14-24-9-11-28-12-10-24/h6-7,13,17H,3-5,8-12,14-15H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyVTARIMREACVTBO-UHFFFAOYSA-N
XLogP2.92
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-ylmethyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-1-carboxamide
CID 47041657
N-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 75510503
(3R)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 124567703
4-(azepan-1-ylmethyl)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]piperidine-1-carboxamide
CID 47041694
N-[2-methyl-5-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoylamino]phenyl]propanamide
CID 74243085
N-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840480
N-(5-acetamido-2-methylphenyl)morpholine-4-carboxamide
CID 47041767
N-(2,5-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528566
(3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide
CID 95093847
N-(5-chloro-2-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide
CID 20907614
(3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide
CID 95298396
ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate
CID 20907510

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide (CID 74245672) is N-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide is CCC(=O)Nc1cc(NC(=O)N2CCCC(CN3CCOCC3)C2)ccc1C.
What is the InChIKey of N-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The InChIKey is VTARIMREACVTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-3-20(26)23-19-13-18(7-6-16(19)2)22-21(27)25-8-4-5-17(15-25)14-24-9-11-28-12-10-24/h6-7,13,17H,3-5,8-12,14-15H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of N-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
N-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 74245672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).