N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide

C25H33N3O3 — CID 45177864

IUPACN-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(N2CCC(NCC3COCCO3)CC2)cc1
InChIInChI=1S/C25H33N3O3/c29-25(11-6-20-4-2-1-3-5-20)27-22-7-9-23(10-8-22)28-14-12-21(13-15-28)26-18-24-19-30-16-17-31-24/h1-5,7-10,21,24,26H,6,11-19H2,(H,27,29)
InChIKeyIMCLTCMMTFHOQW-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.23
Rot. Bonds8

About N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide

N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide (PubChem CID 45177864) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide
PubChem CID45177864
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(N2CCC(NCC3COCCO3)CC2)cc1
InChIInChI=1S/C25H33N3O3/c29-25(11-6-20-4-2-1-3-5-20)27-22-7-9-23(10-8-22)28-14-12-21(13-15-28)26-18-24-19-30-16-17-31-24/h1-5,7-10,21,24,26H,6,11-19H2,(H,27,29)
InChIKeyIMCLTCMMTFHOQW-UHFFFAOYSA-N
XLogP3.23
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.23
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

N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide
CID 45179218
3-phenyl-N-[4-[4-(2-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]propanamide
CID 26402333
N-[4-[4-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide
CID 26354265
ethyl 4-[[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]amino]piperidine-1-carboxylate
CID 42425569
ethyl 4-[4-[4-[[(2S)-1,4-dioxan-2-yl]methylamino]piperidin-1-yl]benzoyl]piperazine-1-carboxylate
CID 42372087
N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide
CID 1302093
N-[4-[4-(benzylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide
CID 26339854
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 1055921
N-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110650035
N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide
CID 112985401
N-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylpropanamide
CID 35147983
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 110352618

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide (CID 45177864) is N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(N2CCC(NCC3COCCO3)CC2)cc1.
What is the InChIKey of N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide?
The InChIKey is IMCLTCMMTFHOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c29-25(11-6-20-4-2-1-3-5-20)27-22-7-9-23(10-8-22)28-14-12-21(13-15-28)26-18-24-19-30-16-17-31-24/h1-5,7-10,21,24,26H,6,11-19H2,(H,27,29).
What are the key properties of N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide?
N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide has a molecular weight of 423.56 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 45177864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).