N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]formamide

C20H32N2O2 — CID 22992797

IUPACN-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]formamide
SMILESCCC1(CC)CC(NC=O)CC(C)(C)N1OC(C)c1ccccc1
InChIInChI=1S/C20H32N2O2/c1-6-20(7-2)14-18(21-15-23)13-19(4,5)22(20)24-16(3)17-11-9-8-10-12-17/h8-12,15-16,18H,6-7,13-14H2,1-5H3,(H,21,23)
InChIKeyPKMQSMHAEQEYQV-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.23
Rot. Bonds7

About N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]formamide

N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]formamide (PubChem CID 22992797) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]formamide.

Molecular Properties

Compound NameN-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]formamide
PubChem CID22992797
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]formamide
SMILESCCC1(CC)CC(NC=O)CC(C)(C)N1OC(C)c1ccccc1
InChIInChI=1S/C20H32N2O2/c1-6-20(7-2)14-18(21-15-23)13-19(4,5)22(20)24-16(3)17-11-9-8-10-12-17/h8-12,15-16,18H,6-7,13-14H2,1-5H3,(H,21,23)
InChIKeyPKMQSMHAEQEYQV-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-amine
CID 21361325
N-[(4S)-2,2-diethyl-6,6-dimethyl-1-[(1S)-1-phenylethoxy]piperidin-4-yl]nonanamide
CID 129394565
N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]octanamide
CID 22992781
N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]tridecanamide
CID 22992807
1-cyclohexyl-3-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea
CID 22992800
4-O-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] 1-O-methyl but-2-enedioate
CID 69411574
2,2-diethyl-6,6-dimethyl-4-octadecyl-1-(1-phenylethoxy)piperidine
CID 174431842
[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] tridecanoate
CID 21361323
[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] undecanoate
CID 21361324
4-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]imino-4-methoxybutanoic acid
CID 69413435
4-ethoxy-2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine
CID 89097657
2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-amine
CID 69411966

Frequently Asked Questions

What is the IUPAC name of N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]formamide?
The IUPAC name of N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]formamide (CID 22992797) is N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]formamide.
What is the SMILES notation for N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]formamide?
The canonical SMILES for N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]formamide is CCC1(CC)CC(NC=O)CC(C)(C)N1OC(C)c1ccccc1.
What is the InChIKey of N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]formamide?
The InChIKey is PKMQSMHAEQEYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-6-20(7-2)14-18(21-15-23)13-19(4,5)22(20)24-16(3)17-11-9-8-10-12-17/h8-12,15-16,18H,6-7,13-14H2,1-5H3,(H,21,23).
What are the key properties of N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]formamide?
N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]formamide has a molecular weight of 332.49 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]formamide is sourced from PubChem (CID 22992797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).