N-[(1,4-dibenzylpiperidin-4-yl)methyl]-2-piperidin-1-ylacetamide

C27H37N3O — CID 177375552

IUPACN-[(1,4-dibenzylpiperidin-4-yl)methyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H37N3O/c31-26(22-29-16-8-3-9-17-29)28-23-27(20-24-10-4-1-5-11-24)14-18-30(19-15-27)21-25-12-6-2-7-13-25/h1-2,4-7,10-13H,3,8-9,14-23H2,(H,28,31)
InChIKeyUNOLTDVTRQVXHC-UHFFFAOYSA-N
MW419.61 g/mol
LogP4.11
Rot. Bonds8

About N-[(1,4-dibenzylpiperidin-4-yl)methyl]-2-piperidin-1-ylacetamide

N-[(1,4-dibenzylpiperidin-4-yl)methyl]-2-piperidin-1-ylacetamide (PubChem CID 177375552) has the molecular formula C27H37N3O and a molecular weight of 419.61 g/mol. Its IUPAC name is N-[(1,4-dibenzylpiperidin-4-yl)methyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(1,4-dibenzylpiperidin-4-yl)methyl]-2-piperidin-1-ylacetamide
PubChem CID177375552
Molecular FormulaC27H37N3O
Molecular Weight419.61 g/mol
Exact Mass419.29
IUPAC NameN-[(1,4-dibenzylpiperidin-4-yl)methyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H37N3O/c31-26(22-29-16-8-3-9-17-29)28-23-27(20-24-10-4-1-5-11-24)14-18-30(19-15-27)21-25-12-6-2-7-13-25/h1-2,4-7,10-13H,3,8-9,14-23H2,(H,28,31)
InChIKeyUNOLTDVTRQVXHC-UHFFFAOYSA-N
XLogP4.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.61
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445977
N-[[1-benzyl-4-(naphthalen-1-ylamino)piperidin-4-yl]methyl]-2-piperidin-1-ylacetamide
CID 177375549
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
N-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902332
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
1-benzylazepane
CID 10954328
2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119505382
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119500637
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dibenzylpiperidin-4-yl)methyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(1,4-dibenzylpiperidin-4-yl)methyl]-2-piperidin-1-ylacetamide (CID 177375552) is N-[(1,4-dibenzylpiperidin-4-yl)methyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(1,4-dibenzylpiperidin-4-yl)methyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(1,4-dibenzylpiperidin-4-yl)methyl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(1,4-dibenzylpiperidin-4-yl)methyl]-2-piperidin-1-ylacetamide?
The InChIKey is UNOLTDVTRQVXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O/c31-26(22-29-16-8-3-9-17-29)28-23-27(20-24-10-4-1-5-11-24)14-18-30(19-15-27)21-25-12-6-2-7-13-25/h1-2,4-7,10-13H,3,8-9,14-23H2,(H,28,31).
What are the key properties of N-[(1,4-dibenzylpiperidin-4-yl)methyl]-2-piperidin-1-ylacetamide?
N-[(1,4-dibenzylpiperidin-4-yl)methyl]-2-piperidin-1-ylacetamide has a molecular weight of 419.61 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dibenzylpiperidin-4-yl)methyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 177375552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).