N-[[1-benzyl-4-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-3-piperidin-1-ylpropanamide

C32H41N3O — CID 171038153

IUPACN-[[1-benzyl-4-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C32H41N3O/c36-31(16-21-34-19-7-2-8-20-34)33-26-32(24-29-14-9-13-28-12-5-6-15-30(28)29)17-22-35(23-18-32)25-27-10-3-1-4-11-27/h1,3-6,9-15H,2,7-8,16-26H2,(H,33,36)
InChIKeyNDLDMUWZIWYVEB-UHFFFAOYSA-N
MW483.70 g/mol
LogP5.66
Rot. Bonds9

About N-[[1-benzyl-4-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-3-piperidin-1-ylpropanamide

N-[[1-benzyl-4-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-3-piperidin-1-ylpropanamide (PubChem CID 171038153) has the molecular formula C32H41N3O and a molecular weight of 483.70 g/mol. Its IUPAC name is N-[[1-benzyl-4-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[[1-benzyl-4-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-3-piperidin-1-ylpropanamide
PubChem CID171038153
Molecular FormulaC32H41N3O
Molecular Weight483.70 g/mol
Exact Mass483.32
IUPAC NameN-[[1-benzyl-4-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C32H41N3O/c36-31(16-21-34-19-7-2-8-20-34)33-26-32(24-29-14-9-13-28-12-5-6-15-30(28)29)17-22-35(23-18-32)25-27-10-3-1-4-11-27/h1,3-6,9-15H,2,7-8,16-26H2,(H,33,36)
InChIKeyNDLDMUWZIWYVEB-UHFFFAOYSA-N
XLogP5.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.70
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-benzyl-4-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[[1-benzyl-4-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-3-piperidin-1-ylpropanamide (CID 171038153) is N-[[1-benzyl-4-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[[1-benzyl-4-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[[1-benzyl-4-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[[1-benzyl-4-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-3-piperidin-1-ylpropanamide?
The InChIKey is NDLDMUWZIWYVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N3O/c36-31(16-21-34-19-7-2-8-20-34)33-26-32(24-29-14-9-13-28-12-5-6-15-30(28)29)17-22-35(23-18-32)25-27-10-3-1-4-11-27/h1,3-6,9-15H,2,7-8,16-26H2,(H,33,36).
What are the key properties of N-[[1-benzyl-4-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-3-piperidin-1-ylpropanamide?
N-[[1-benzyl-4-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-3-piperidin-1-ylpropanamide has a molecular weight of 483.70 g/mol, XLogP of 5.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-benzyl-4-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 171038153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).