N-[[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide

C23H28N2O2 — CID 131895443

IUPACN-[[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)C1CC1
InChIInChI=1S/C23H28N2O2/c26-23(20-9-10-20)24-16-18-11-13-25(14-12-18)17-19-5-4-8-22(15-19)27-21-6-2-1-3-7-21/h1-8,15,18,20H,9-14,16-17H2,(H,24,26)
InChIKeyINRPPDRBACXTOM-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.22
Rot. Bonds7

About N-[[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide

N-[[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 131895443) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide
PubChem CID131895443
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)C1CC1
InChIInChI=1S/C23H28N2O2/c26-23(20-9-10-20)24-16-18-11-13-25(14-12-18)17-19-5-4-8-22(15-19)27-21-6-2-1-3-7-21/h1-8,15,18,20H,9-14,16-17H2,(H,24,26)
InChIKeyINRPPDRBACXTOM-UHFFFAOYSA-N
XLogP4.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 118348853
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 1343442
N-[[4-(difluoromethoxy)phenyl]methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 118348909
1-[(3-phenoxyphenyl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 118390520
2-[methyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042964
1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
CID 1376909
4-[4-[[4-(cyclohexylmethylcarbamoyl)piperidin-1-yl]methyl]phenoxy]benzoic acid;hydrochloride
CID 67038254
N-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide
CID 136579148
N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 51361887
2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122043217
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
N-(cyclopropylmethyl)-1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-3-carboxamide
CID 55841784

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide (CID 131895443) is N-[[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide is O=C(NCC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)C1CC1.
What is the InChIKey of N-[[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is INRPPDRBACXTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-23(20-9-10-20)24-16-18-11-13-25(14-12-18)17-19-5-4-8-22(15-19)27-21-6-2-1-3-7-21/h1-8,15,18,20H,9-14,16-17H2,(H,24,26).
What are the key properties of N-[[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide?
N-[[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 131895443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).