N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide

C20H32N4O2 — CID 109016647

IUPACN-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide
SMILESO=C(CCNc1ccc(N2CCCCC2)cc1)NCCN1CCOCC1
InChIInChI=1S/C20H32N4O2/c25-20(22-10-13-23-14-16-26-17-15-23)8-9-21-18-4-6-19(7-5-18)24-11-2-1-3-12-24/h4-7,21H,1-3,8-17H2,(H,22,25)
InChIKeyZUBZCRCKVVXHOA-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.93
Rot. Bonds8

About N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide

N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide (PubChem CID 109016647) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide
PubChem CID109016647
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide
SMILESO=C(CCNc1ccc(N2CCCCC2)cc1)NCCN1CCOCC1
InChIInChI=1S/C20H32N4O2/c25-20(22-10-13-23-14-16-26-17-15-23)8-9-21-18-4-6-19(7-5-18)24-11-2-1-3-12-24/h4-7,21H,1-3,8-17H2,(H,22,25)
InChIKeyZUBZCRCKVVXHOA-UHFFFAOYSA-N
XLogP1.93
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016608
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
N-(2-morpholin-4-ylethyl)-4-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113106083
2-(2-morpholin-4-ylethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 43816686
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016616
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109016988
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108863096
5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185693
N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109016632

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide (CID 109016647) is N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide is O=C(CCNc1ccc(N2CCCCC2)cc1)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide?
The InChIKey is ZUBZCRCKVVXHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c25-20(22-10-13-23-14-16-26-17-15-23)8-9-21-18-4-6-19(7-5-18)24-11-2-1-3-12-24/h4-7,21H,1-3,8-17H2,(H,22,25).
What are the key properties of N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide?
N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide has a molecular weight of 360.50 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide is sourced from PubChem (CID 109016647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).