N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide

C26H41N3O3 — CID 29026459

IUPACN-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCN(C[C@@H]1COCCO1)C(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1
InChIInChI=1S/C26H41N3O3/c1-27(20-25-21-31-18-19-32-25)26(30)23-9-16-29(17-10-23)24-11-14-28(15-12-24)13-5-8-22-6-3-2-4-7-22/h2-4,6-7,23-25H,5,8-21H2,1H3/t25-/m1/s1
InChIKeyOWQSQBVDOOEHTD-RUZDIDTESA-N
MW443.63 g/mol
LogP2.67
Rot. Bonds8

About N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide

N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 29026459) has the molecular formula C26H41N3O3 and a molecular weight of 443.63 g/mol. Its IUPAC name is N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID29026459
Molecular FormulaC26H41N3O3
Molecular Weight443.63 g/mol
Exact Mass443.31
IUPAC NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCN(C[C@@H]1COCCO1)C(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1
InChIInChI=1S/C26H41N3O3/c1-27(20-25-21-31-18-19-32-25)26(30)23-9-16-29(17-10-23)24-11-14-28(15-12-24)13-5-8-22-6-3-2-4-7-22/h2-4,6-7,23-25H,5,8-21H2,1H3/t25-/m1/s1
InChIKeyOWQSQBVDOOEHTD-RUZDIDTESA-N
XLogP2.67
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.63
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 795749
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-(4-methylquinazolin-2-yl)piperidine-4-carboxamide
CID 26279594
N-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 45220804
(2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride
CID 154896164
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(3-phenylpropyl)piperidine;formic acid
CID 154919917
N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 28767990
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
N-benzyl-1-[1-(2-chloroacetyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693619
N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 42565339
N-[(3R)-2-oxopyrrolidin-3-yl]-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 96582167
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine
CID 138806270
N-(1,4-dioxan-2-ylmethyl)-N-methyl-3,3-diphenylpropanamide
CID 86286846

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide (CID 29026459) is N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide is CN(C[C@@H]1COCCO1)C(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1.
What is the InChIKey of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is OWQSQBVDOOEHTD-RUZDIDTESA-N. The full InChI is InChI=1S/C26H41N3O3/c1-27(20-25-21-31-18-19-32-25)26(30)23-9-16-29(17-10-23)24-11-14-28(15-12-24)13-5-8-22-6-3-2-4-7-22/h2-4,6-7,23-25H,5,8-21H2,1H3/t25-/m1/s1.
What are the key properties of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide?
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 443.63 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 29026459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).