2-(dimethylamino)-N-[(1S)-1-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide

C25H35N3O2 — CID 67970711

IUPAC2-(dimethylamino)-N-[(1S)-1-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide
SMILESCCOc1ccc(N2CCC(c3ccc([C@H](C)NC(=O)CN(C)C)cc3)CC2)cc1
InChIInChI=1S/C25H35N3O2/c1-5-30-24-12-10-23(11-13-24)28-16-14-22(15-17-28)21-8-6-20(7-9-21)19(2)26-25(29)18-27(3)4/h6-13,19,22H,5,14-18H2,1-4H3,(H,26,29)/t19-/m0/s1
InChIKeyFPIOLUSFCOIVKM-IBGZPJMESA-N
MW409.57 g/mol
LogP4.21
Rot. Bonds8

About 2-(dimethylamino)-N-[(1S)-1-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide

2-(dimethylamino)-N-[(1S)-1-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide (PubChem CID 67970711) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(1S)-1-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(1S)-1-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide
PubChem CID67970711
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name2-(dimethylamino)-N-[(1S)-1-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide
SMILESCCOc1ccc(N2CCC(c3ccc([C@H](C)NC(=O)CN(C)C)cc3)CC2)cc1
InChIInChI=1S/C25H35N3O2/c1-5-30-24-12-10-23(11-13-24)28-16-14-22(15-17-28)21-8-6-20(7-9-21)19(2)26-25(29)18-27(3)4/h6-13,19,22H,5,14-18H2,1-4H3,(H,26,29)/t19-/m0/s1
InChIKeyFPIOLUSFCOIVKM-IBGZPJMESA-N
XLogP4.21
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxy-N-methylsulfonylanilino)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43895634
3-[(1S)-1-[4-[4-[4-(cyclopropylmethoxy)phenyl]piperidin-1-yl]phenyl]ethyl]-1,1-dimethylurea
CID 71616117
2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]hexan-3-one
CID 153105171
2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]-N-phenylpropanamide
CID 71566718
3-[(1S)-1-[4-[4-(4-cyclobutyloxyphenyl)piperidin-1-yl]phenyl]ethyl]-1,1-dimethylurea
CID 71616118
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43892552
N-[1-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123377438
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 129418914
2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132658442
2-(4-chlorophenoxy)-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 99993525
N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-2-fluoroacetamide
CID 123494254
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631647

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(1S)-1-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[(1S)-1-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide (CID 67970711) is 2-(dimethylamino)-N-[(1S)-1-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(1S)-1-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[(1S)-1-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide is CCOc1ccc(N2CCC(c3ccc([C@H](C)NC(=O)CN(C)C)cc3)CC2)cc1.
What is the InChIKey of 2-(dimethylamino)-N-[(1S)-1-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide?
The InChIKey is FPIOLUSFCOIVKM-IBGZPJMESA-N. The full InChI is InChI=1S/C25H35N3O2/c1-5-30-24-12-10-23(11-13-24)28-16-14-22(15-17-28)21-8-6-20(7-9-21)19(2)26-25(29)18-27(3)4/h6-13,19,22H,5,14-18H2,1-4H3,(H,26,29)/t19-/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[(1S)-1-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide?
2-(dimethylamino)-N-[(1S)-1-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide has a molecular weight of 409.57 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(1S)-1-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide is sourced from PubChem (CID 67970711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).