N,N-dimethyl-4-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperazine-1-carboxamide

C25H34N4O2 — CID 130451387

IUPACN,N-dimethyl-4-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2cc(N3CCCCC3)ccc2OCc2ccccc2)CC1
InChIInChI=1S/C25H34N4O2/c1-26(2)25(30)29-17-15-28(16-18-29)23-19-22(27-13-7-4-8-14-27)11-12-24(23)31-20-21-9-5-3-6-10-21/h3,5-6,9-12,19H,4,7-8,13-18,20H2,1-2H3
InChIKeyXYTDBMXDOAAPMG-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.06
Rot. Bonds5

About N,N-dimethyl-4-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperazine-1-carboxamide

N,N-dimethyl-4-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperazine-1-carboxamide (PubChem CID 130451387) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperazine-1-carboxamide
PubChem CID130451387
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN,N-dimethyl-4-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2cc(N3CCCCC3)ccc2OCc2ccccc2)CC1
InChIInChI=1S/C25H34N4O2/c1-26(2)25(30)29-17-15-28(16-18-29)23-19-22(27-13-7-4-8-14-27)11-12-24(23)31-20-21-9-5-3-6-10-21/h3,5-6,9-12,19H,4,7-8,13-18,20H2,1-2H3
InChIKeyXYTDBMXDOAAPMG-UHFFFAOYSA-N
XLogP4.06
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.06
H-Bond Donors ≤ 50
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

benzyl 4-[2-[(2-methylpropan-2-yl)oxy]-5-piperidin-1-ylphenyl]piperazine-1-carboxylate
CID 130451103
4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine
CID 130451089
benzyl 4-[3,4-bis(methoxymethoxy)phenyl]piperazine-1-carboxylate
CID 176656702
benzyl 4-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1,4-diazepane-1-carboxylate
CID 69365153
2-phenylmethoxy-N-[[4-(phenylmethoxycarbamoyl)phenyl]methyl]-N-(4-piperidin-1-ylphenyl)-5-propan-2-ylbenzamide
CID 175578813
1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one
CID 90876902
(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
CID 164610772
4-morpholin-4-yl-2-phenylmethoxybenzoic acid
CID 139820308
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
1-(4-benzyl-3-pyrrolidin-1-ylphenyl)azepane
CID 132507464
1-methyl-4-(2-phenylmethoxyphenyl)piperazine
CID 58996693

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperazine-1-carboxamide (CID 130451387) is N,N-dimethyl-4-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperazine-1-carboxamide is CN(C)C(=O)N1CCN(c2cc(N3CCCCC3)ccc2OCc2ccccc2)CC1.
What is the InChIKey of N,N-dimethyl-4-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperazine-1-carboxamide?
The InChIKey is XYTDBMXDOAAPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-26(2)25(30)29-17-15-28(16-18-29)23-19-22(27-13-7-4-8-14-27)11-12-24(23)31-20-21-9-5-3-6-10-21/h3,5-6,9-12,19H,4,7-8,13-18,20H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperazine-1-carboxamide?
N,N-dimethyl-4-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperazine-1-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 130451387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).