N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide

C19H29N3O — CID 54468521

IUPACN-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide
SMILESCCCC(=O)N[C@@H]1CCc2cccc(N3CCN(C)CC3)c2C1
InChIInChI=1S/C19H29N3O/c1-3-5-19(23)20-16-9-8-15-6-4-7-18(17(15)14-16)22-12-10-21(2)11-13-22/h4,6-7,16H,3,5,8-14H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyXGQVXNZFGIJQPT-MRXNPFEDSA-N
MW315.46 g/mol
LogP2.21
Rot. Bonds4

About N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide

N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide (PubChem CID 54468521) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide.

Molecular Properties

Compound NameN-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide
PubChem CID54468521
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide
SMILESCCCC(=O)N[C@@H]1CCc2cccc(N3CCN(C)CC3)c2C1
InChIInChI=1S/C19H29N3O/c1-3-5-19(23)20-16-9-8-15-6-4-7-18(17(15)14-16)22-12-10-21(2)11-13-22/h4,6-7,16H,3,5,8-14H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyXGQVXNZFGIJQPT-MRXNPFEDSA-N
XLogP2.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide?
The IUPAC name of N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide (CID 54468521) is N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide.
What is the SMILES notation for N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide?
The canonical SMILES for N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide is CCCC(=O)N[C@@H]1CCc2cccc(N3CCN(C)CC3)c2C1.
What is the InChIKey of N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide?
The InChIKey is XGQVXNZFGIJQPT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O/c1-3-5-19(23)20-16-9-8-15-6-4-7-18(17(15)14-16)22-12-10-21(2)11-13-22/h4,6-7,16H,3,5,8-14H2,1-2H3,(H,20,23)/t16-/m1/s1.
What are the key properties of N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide?
N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide has a molecular weight of 315.46 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide is sourced from PubChem (CID 54468521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).