(3R)-N-[2-(dimethylamino)-2-methylpropyl]-3-[(3-methoxyphenoxy)methyl]piperidine-1-carboxamide

C20H33N3O3 — CID 125444364

IUPAC(3R)-N-[2-(dimethylamino)-2-methylpropyl]-3-[(3-methoxyphenoxy)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(OC[C@@H]2CCCN(C(=O)NCC(C)(C)N(C)C)C2)c1
InChIInChI=1S/C20H33N3O3/c1-20(2,22(3)4)15-21-19(24)23-11-7-8-16(13-23)14-26-18-10-6-9-17(12-18)25-5/h6,9-10,12,16H,7-8,11,13-15H2,1-5H3,(H,21,24)/t16-/m1/s1
InChIKeyWXQSUPZYOULGPF-MRXNPFEDSA-N
MW363.50 g/mol
LogP2.84
Rot. Bonds7

About (3R)-N-[2-(dimethylamino)-2-methylpropyl]-3-[(3-methoxyphenoxy)methyl]piperidine-1-carboxamide

(3R)-N-[2-(dimethylamino)-2-methylpropyl]-3-[(3-methoxyphenoxy)methyl]piperidine-1-carboxamide (PubChem CID 125444364) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is (3R)-N-[2-(dimethylamino)-2-methylpropyl]-3-[(3-methoxyphenoxy)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(dimethylamino)-2-methylpropyl]-3-[(3-methoxyphenoxy)methyl]piperidine-1-carboxamide
PubChem CID125444364
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name(3R)-N-[2-(dimethylamino)-2-methylpropyl]-3-[(3-methoxyphenoxy)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(OC[C@@H]2CCCN(C(=O)NCC(C)(C)N(C)C)C2)c1
InChIInChI=1S/C20H33N3O3/c1-20(2,22(3)4)15-21-19(24)23-11-7-8-16(13-23)14-26-18-10-6-9-17(12-18)25-5/h6,9-10,12,16H,7-8,11,13-15H2,1-5H3,(H,21,24)/t16-/m1/s1
InChIKeyWXQSUPZYOULGPF-MRXNPFEDSA-N
XLogP2.84
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(dimethylamino)-2-methylpropyl]-3-[(3-methoxyphenoxy)methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[2-(dimethylamino)-2-methylpropyl]-3-[(3-methoxyphenoxy)methyl]piperidine-1-carboxamide (CID 125444364) is (3R)-N-[2-(dimethylamino)-2-methylpropyl]-3-[(3-methoxyphenoxy)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[2-(dimethylamino)-2-methylpropyl]-3-[(3-methoxyphenoxy)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[2-(dimethylamino)-2-methylpropyl]-3-[(3-methoxyphenoxy)methyl]piperidine-1-carboxamide is COc1cccc(OC[C@@H]2CCCN(C(=O)NCC(C)(C)N(C)C)C2)c1.
What is the InChIKey of (3R)-N-[2-(dimethylamino)-2-methylpropyl]-3-[(3-methoxyphenoxy)methyl]piperidine-1-carboxamide?
The InChIKey is WXQSUPZYOULGPF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-20(2,22(3)4)15-21-19(24)23-11-7-8-16(13-23)14-26-18-10-6-9-17(12-18)25-5/h6,9-10,12,16H,7-8,11,13-15H2,1-5H3,(H,21,24)/t16-/m1/s1.
What are the key properties of (3R)-N-[2-(dimethylamino)-2-methylpropyl]-3-[(3-methoxyphenoxy)methyl]piperidine-1-carboxamide?
(3R)-N-[2-(dimethylamino)-2-methylpropyl]-3-[(3-methoxyphenoxy)methyl]piperidine-1-carboxamide has a molecular weight of 363.50 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(dimethylamino)-2-methylpropyl]-3-[(3-methoxyphenoxy)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 125444364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).