N'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide

C19H29N3O3 — CID 16886626

IUPACN'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCC1CCN(C(C)C)CC1
InChIInChI=1S/C19H29N3O3/c1-14(2)22-10-8-15(9-11-22)12-20-18(23)19(24)21-13-16-6-4-5-7-17(16)25-3/h4-7,14-15H,8-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyKEKIHSRQQBNRCF-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.55
Rot. Bonds6

About N'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide

N'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide (PubChem CID 16886626) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
PubChem CID16886626
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCC1CCN(C(C)C)CC1
InChIInChI=1S/C19H29N3O3/c1-14(2)22-10-8-15(9-11-22)12-20-18(23)19(24)21-13-16-6-4-5-7-17(16)25-3/h4-7,14-15H,8-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyKEKIHSRQQBNRCF-UHFFFAOYSA-N
XLogP1.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide
CID 578186
N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886576
N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 113103333
N-[1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 33108751
N-[(2-methoxyphenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517303
N-[3-(2-methoxyphenyl)propyl]-1-propan-2-ylpiperidin-4-amine
CID 50981884
(2R)-N-carbamoyl-2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 95155506
N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide
CID 124605769
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9432729
N'-(3-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886583
tert-butyl 4-[[[N-[(2-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]piperidine-1-carboxylate
CID 111215963
1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 94800132

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide (CID 16886626) is N'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide is COc1ccccc1CNC(=O)C(=O)NCC1CCN(C(C)C)CC1.
What is the InChIKey of N'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The InChIKey is KEKIHSRQQBNRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(2)22-10-8-15(9-11-22)12-20-18(23)19(24)21-13-16-6-4-5-7-17(16)25-3/h4-7,14-15H,8-13H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
N'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide has a molecular weight of 347.46 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 16886626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).