N-[2-(diethylamino)-3-phenylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide

C21H35N3O2 — CID 120642373

IUPACN-[2-(diethylamino)-3-phenylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCCN(CC)C(CNC(=O)C1(COC)CCNCC1)Cc1ccccc1
InChIInChI=1S/C21H35N3O2/c1-4-24(5-2)19(15-18-9-7-6-8-10-18)16-23-20(25)21(17-26-3)11-13-22-14-12-21/h6-10,19,22H,4-5,11-17H2,1-3H3,(H,23,25)
InChIKeyNYYNOOMBIMKCGU-UHFFFAOYSA-N
MW361.53 g/mol
LogP2.07
Rot. Bonds10

About N-[2-(diethylamino)-3-phenylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[2-(diethylamino)-3-phenylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120642373) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-phenylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-phenylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120642373
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC NameN-[2-(diethylamino)-3-phenylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCCN(CC)C(CNC(=O)C1(COC)CCNCC1)Cc1ccccc1
InChIInChI=1S/C21H35N3O2/c1-4-24(5-2)19(15-18-9-7-6-8-10-18)16-23-20(25)21(17-26-3)11-13-22-14-12-21/h6-10,19,22H,4-5,11-17H2,1-3H3,(H,23,25)
InChIKeyNYYNOOMBIMKCGU-UHFFFAOYSA-N
XLogP2.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120642373) is N-[2-(diethylamino)-3-phenylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-3-phenylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-3-phenylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide is CCN(CC)C(CNC(=O)C1(COC)CCNCC1)Cc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-3-phenylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is NYYNOOMBIMKCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-4-24(5-2)19(15-18-9-7-6-8-10-18)16-23-20(25)21(17-26-3)11-13-22-14-12-21/h6-10,19,22H,4-5,11-17H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(diethylamino)-3-phenylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[2-(diethylamino)-3-phenylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 361.53 g/mol, XLogP of 2.07, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-phenylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120642373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).