N-[[1-benzyl-4-(naphthalen-1-ylamino)piperidin-4-yl]methyl]-2-piperidin-1-ylacetamide

C30H38N4O — CID 177375549

IUPACN-[[1-benzyl-4-(naphthalen-1-ylamino)piperidin-4-yl]methyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)NCC1(Nc2cccc3ccccc23)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H38N4O/c35-29(23-33-18-7-2-8-19-33)31-24-30(32-28-15-9-13-26-12-5-6-14-27(26)28)16-20-34(21-17-30)22-25-10-3-1-4-11-25/h1,3-6,9-15,32H,2,7-8,16-24H2,(H,31,35)
InChIKeyJAEUPFZSIBGDRY-UHFFFAOYSA-N
MW470.66 g/mol
LogP4.89
Rot. Bonds8

About N-[[1-benzyl-4-(naphthalen-1-ylamino)piperidin-4-yl]methyl]-2-piperidin-1-ylacetamide

N-[[1-benzyl-4-(naphthalen-1-ylamino)piperidin-4-yl]methyl]-2-piperidin-1-ylacetamide (PubChem CID 177375549) has the molecular formula C30H38N4O and a molecular weight of 470.66 g/mol. Its IUPAC name is N-[[1-benzyl-4-(naphthalen-1-ylamino)piperidin-4-yl]methyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[[1-benzyl-4-(naphthalen-1-ylamino)piperidin-4-yl]methyl]-2-piperidin-1-ylacetamide
PubChem CID177375549
Molecular FormulaC30H38N4O
Molecular Weight470.66 g/mol
Exact Mass470.30
IUPAC NameN-[[1-benzyl-4-(naphthalen-1-ylamino)piperidin-4-yl]methyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)NCC1(Nc2cccc3ccccc23)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H38N4O/c35-29(23-33-18-7-2-8-19-33)31-24-30(32-28-15-9-13-26-12-5-6-14-27(26)28)16-20-34(21-17-30)22-25-10-3-1-4-11-25/h1,3-6,9-15,32H,2,7-8,16-24H2,(H,31,35)
InChIKeyJAEUPFZSIBGDRY-UHFFFAOYSA-N
XLogP4.89
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.66
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,4-dibenzylpiperidin-4-yl)methyl]-2-piperidin-1-ylacetamide
CID 177375552
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445977
3-benzylsulfanyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767858
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
N-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902332
2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 8902404
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid
CID 119907519
3-benzylsulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767349
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 22194778
2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide
CID 30297224

Frequently Asked Questions

What is the IUPAC name of N-[[1-benzyl-4-(naphthalen-1-ylamino)piperidin-4-yl]methyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[[1-benzyl-4-(naphthalen-1-ylamino)piperidin-4-yl]methyl]-2-piperidin-1-ylacetamide (CID 177375549) is N-[[1-benzyl-4-(naphthalen-1-ylamino)piperidin-4-yl]methyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[[1-benzyl-4-(naphthalen-1-ylamino)piperidin-4-yl]methyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[[1-benzyl-4-(naphthalen-1-ylamino)piperidin-4-yl]methyl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)NCC1(Nc2cccc3ccccc23)CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[[1-benzyl-4-(naphthalen-1-ylamino)piperidin-4-yl]methyl]-2-piperidin-1-ylacetamide?
The InChIKey is JAEUPFZSIBGDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O/c35-29(23-33-18-7-2-8-19-33)31-24-30(32-28-15-9-13-26-12-5-6-14-27(26)28)16-20-34(21-17-30)22-25-10-3-1-4-11-25/h1,3-6,9-15,32H,2,7-8,16-24H2,(H,31,35).
What are the key properties of N-[[1-benzyl-4-(naphthalen-1-ylamino)piperidin-4-yl]methyl]-2-piperidin-1-ylacetamide?
N-[[1-benzyl-4-(naphthalen-1-ylamino)piperidin-4-yl]methyl]-2-piperidin-1-ylacetamide has a molecular weight of 470.66 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-benzyl-4-(naphthalen-1-ylamino)piperidin-4-yl]methyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 177375549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).