5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide

C22H36N4O3 — CID 3631176

IUPAC5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
SMILESCCCCNC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCCOC)c1
InChIInChI=1S/C22H36N4O3/c1-4-5-11-24-22(28)25-18-7-8-20(26-13-9-17(2)10-14-26)19(16-18)21(27)23-12-6-15-29-3/h7-8,16-17H,4-6,9-15H2,1-3H3,(H,23,27)(H2,24,25,28)
InChIKeyBTUHBBLTBQKASW-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.61
Rot. Bonds10

About 5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide

5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 3631176) has the molecular formula C22H36N4O3 and a molecular weight of 404.56 g/mol. Its IUPAC name is 5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
PubChem CID3631176
Molecular FormulaC22H36N4O3
Molecular Weight404.56 g/mol
Exact Mass404.28
IUPAC Name5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
SMILESCCCCNC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCCOC)c1
InChIInChI=1S/C22H36N4O3/c1-4-5-11-24-22(28)25-18-7-8-20(26-13-9-17(2)10-14-26)19(16-18)21(27)23-12-6-15-29-3/h7-8,16-17H,4-6,9-15H2,1-3H3,(H,23,27)(H2,24,25,28)
InChIKeyBTUHBBLTBQKASW-UHFFFAOYSA-N
XLogP3.61
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide
CID 4020156
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide
CID 4693028
5-(tert-butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42753069
5-[(3,4-dichlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3544747
5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42752967
ethyl 2-[[3-(3-ethoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]acetate
CID 3470484
5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3296405
5-[(4-fluorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 4587444
5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 5202151
5-[(2,4-dichlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 4308801
N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(propanoylamino)benzamide
CID 4027553
N-[3-(3-methoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide
CID 5189813

Frequently Asked Questions

What is the IUPAC name of 5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of 5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide (CID 3631176) is 5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for 5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for 5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide is CCCCNC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCCOC)c1.
What is the InChIKey of 5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is BTUHBBLTBQKASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O3/c1-4-5-11-24-22(28)25-18-7-8-20(26-13-9-17(2)10-14-26)19(16-18)21(27)23-12-6-15-29-3/h7-8,16-17H,4-6,9-15H2,1-3H3,(H,23,27)(H2,24,25,28).
What are the key properties of 5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide?
5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 404.56 g/mol, XLogP of 3.61, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 3631176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).